data_2m68_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 2m68 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.187 0.994 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' THR . . . . . 0.401 ' OG1' HD21 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 32.9 t30 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.401 HD21 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.725 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.84 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.725 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.749 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.599 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.484 ' HG2' ' NH1' ' A' 1535 ' ' ARG . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.532 ' HB3' HG11 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.684 ' HB2' HG13 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.684 HG13 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.537 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.484 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.84 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.644 ' HD1' HD22 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.812 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.851 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' 1604 ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.851 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.669 ' HB2' HG13 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.812 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' 1616 ' ' PRO . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.669 HD22 HD22 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.669 HD22 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.749 ' HZ ' HG23 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1644 ' ' LEU . . . . . 0.461 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t . . . . . 0 N--CA 1.437 -1.09 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.7 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.592 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.416 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.608 HG23 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.607 HD11 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.483 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.96 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.464 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1571 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.825 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.449 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.539 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.603 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.635 HD23 HD21 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.635 HD21 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.743 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.508 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.743 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.608 ' HZ ' HG23 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.609 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.607 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' 1647 ' ' GLU . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.607 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.685 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.653 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.844 HG23 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.601 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.434 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.979 ' HB2' HG12 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.656 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.425 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.653 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.517 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.517 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.459 HG21 HG23 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.569 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.606 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? . . . . . 0 C--O 1.239 0.543 0 CA-C-O 120.966 0.412 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.75 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.459 HG23 HG21 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.588 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.685 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.401 HD23 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.64 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.609 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.844 ' HZ ' HG23 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.809 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' 1523 ' ' THR . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.248 0.997 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.432 HG12 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.744 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.744 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.618 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.865 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.595 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.588 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.618 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.631 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.421 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.424 ' HD2' HG12 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.475 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t . . . . . 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.446 -0.636 0 CA-C-O 121.084 0.469 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.559 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1611 ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' 1639 ' ' SER . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.808 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.88 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.559 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.585 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.563 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.442 HG21 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.865 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' 1613 ' ' VAL . 51.6 m80 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.88 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.483 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.241 0.657 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.547 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.449 HG11 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1519 ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.732 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 56.4 t30 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.474 HG22 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1528 ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.547 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.471 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.814 HG23 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.578 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.454 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.571 ' HB3' HG11 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 1.039 ' HB2' HG13 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.717 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 1.039 HG13 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.437 ' HB2' HG23 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.471 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.583 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1578 ' ' ASN . . . . . 0.46 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' 1553 ' ' CYS . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.911 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.46 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.517 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.855 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.477 ' HB3' HG13 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1611 ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.911 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.46 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.547 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.531 HD22 HD22 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.538 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.551 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.656 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.551 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.855 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.814 ' HZ ' HG23 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1644 ' ' LEU . . . . . 0.436 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.677 ' HB3' HD11 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.485 HG12 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.465 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 44.3 t30 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.485 ' HD2' HG12 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.521 ' HA ' ' CB ' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.413 ' HB2' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.501 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.542 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.827 HG22 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.543 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.636 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.634 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.813 ' HB2' HG12 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.53 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1561 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.636 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.813 HG12 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.501 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.542 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1571 ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.542 ' HB3' HG11 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.818 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.429 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.681 HD23 HD22 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.681 HD22 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.545 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.56 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.827 ' HZ ' HG22 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 31.1 m170 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.65 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.6 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.754 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.754 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.673 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.573 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.776 HG23 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.558 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' ASN . . . . . 0.438 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.908 ' HB2' HG12 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.531 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.908 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.606 ' HB2' HG23 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.573 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.661 HD13 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.633 ' HD1' HD21 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.908 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.458 ' H ' HD21 ' A' 1604 ' ' LEU . 1.4 mm? . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.445 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.508 ' HB2' HG13 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.908 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.404 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.587 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.468 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.543 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.716 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.545 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.716 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG23 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.532 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.458 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1649 ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.435 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.575 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.601 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.855 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.609 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.62 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.9 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.418 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.9 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.573 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1571 ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.588 ' HB2' ' SG ' ' A' 1516 ' ' CYS 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.509 ' HD1' HD21 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.448 HG22 HG21 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.434 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.557 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.448 HG21 HG22 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.51 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.513 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.609 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.609 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.855 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.51 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.688 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.688 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.472 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.423 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.678 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.681 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.623 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.583 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.61 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.411 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.928 ' HB2' HG12 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.61 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.928 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1571 ' ' ARG . . . . . 0.516 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.403 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.7 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.445 ' HA ' ' OH ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.801 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.467 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.437 -1.122 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.514 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.598 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.615 ' HB2' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.678 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.497 HD22 HD22 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.51 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.522 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.522 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.623 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.646 ' HB2' HD23 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.844 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.844 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.561 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.701 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.607 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.517 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.701 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.876 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.601 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.679 ' HB3' HG12 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1557 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1558 ' ' ASN . . . . . 0.456 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 1.031 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.426 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 1.031 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1564 ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.435 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.541 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.517 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.596 ' HD1' HD22 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.541 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.478 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.87 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.493 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.597 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.597 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1623 ' ' ARG . . . . . 0.412 ' NH1' HG21 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.634 HD22 HD21 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.634 HD21 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.581 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.798 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.504 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.876 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.457 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.401 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 31.7 m170 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.249 1.03 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' THR . . . . . 0.401 ' OG1' HD21 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.507 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 27.9 t30 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.401 HD21 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.507 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.696 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.608 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.587 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.691 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.532 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1557 ' ' GLU . . . . . 0.441 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.831 ' HB2' HG12 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.532 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.608 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.544 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.421 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.61 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.61 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.874 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.441 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.937 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.495 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.874 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.648 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.648 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.677 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.937 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.696 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.501 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.74 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.74 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.408 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.559 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.488 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.596 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.867 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.576 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.656 ' HB3' HG12 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.96 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.488 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.596 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.444 ' HD1' HD22 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.863 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.612 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p . . . . . 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.444 ' H ' HD21 ' A' 1604 ' ' LEU . 2.1 mm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.664 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.74 ' HB2' HG11 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.863 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.559 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.502 HD21 HD21 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.502 HD21 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.537 ' OD1' HG21 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.537 HG21 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.867 ' HZ ' HG23 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1649 ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t . . . . . 0 N--CA 1.419 -1.996 0 CA-C-O 121.882 0.849 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.632 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.632 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.523 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1545 ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.846 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.617 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.475 ' SG ' HD13 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.423 ' HB3' HG12 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1557 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.908 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.523 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.474 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD22 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.873 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.475 HD13 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.443 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.466 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.443 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.873 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.478 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.638 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.564 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.713 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.464 HG21 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.466 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.713 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.846 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.922 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.3 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' 1527 ' ' PHE . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.831 ' HB ' ' HB3' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.922 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.601 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.659 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.612 HD13 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.663 ' HB2' HG12 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 1.026 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 1.026 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.518 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.523 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.643 ' HB2' HG23 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.614 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.419 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.806 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' 1552 ' ' ILE . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.428 HG21 HG22 ' A' 1609 ' ' VAL . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.414 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.523 HD22 ' HA ' ' A' 1633 ' ' THR . 1.1 mm? . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.785 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.428 HG22 HG21 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.806 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.624 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.515 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.612 HD23 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.612 HD23 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.694 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.523 ' HA ' HD22 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.484 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.452 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.659 ' HZ ' HG23 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.624 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.479 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1649 ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.8 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.604 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 50.2 t30 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1529 ' ' LEU . . . . . 0.464 HD21 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' 1552 ' ' ILE . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.569 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.792 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.78 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.777 HG22 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.594 HD13 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.544 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.613 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.726 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.544 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.59 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.517 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.78 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.59 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.647 HD13 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD22 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.512 HG23 HG23 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' 1604 ' ' LEU . 2.2 mm? . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.968 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.44 ' HB2' HG12 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.512 HG23 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.894 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.792 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.547 HD21 HD22 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.547 HD22 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.616 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.655 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.421 HG21 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.968 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.777 ' HZ ' HG22 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ2' HD21 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.612 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.62 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' 1534 ' ' GLY . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.807 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.594 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.854 HG23 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.623 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.606 HD11 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.699 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG12 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.702 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.529 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.469 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.594 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.48 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.575 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.555 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.903 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.417 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' HD22 ' A' 1604 ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.683 ' HB2' HG11 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1611 ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.903 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.434 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.489 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.807 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.603 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.603 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.519 ' OD2' HG21 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.519 HG21 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.546 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG23 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1648 ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t . . . . . 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.697 ' HB2' HD23 ' A' 1526 ' ' LEU . 2.9 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.402 HG11 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.705 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.705 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' 1534 ' ' GLY . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.406 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.792 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.534 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.59 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.864 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.547 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.728 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.985 ' HB2' HG12 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.534 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 26.0 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.625 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.785 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.864 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.617 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.619 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.654 ' N ' HE21 ' A' 1586 ' ' GLN . 0.0 OUTLIER 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.617 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.505 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.44 ' HG3' HG21 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.785 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1609 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1611 ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.838 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.412 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.575 HD22 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.575 HD23 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.659 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.459 HG21 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.488 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.792 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.412 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 55.3 m170 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' 1618 ' ' ALA . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.678 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' THR . . . . . 0.418 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' HIS . . . . . 0.402 ' HB2' ' HG1' ' A' 1523 ' ' THR . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.678 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.468 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.49 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.443 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.803 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.606 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.509 ' HB2' HG11 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.952 ' HB2' HG13 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.409 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.952 HG13 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.507 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.661 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.766 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.732 ' HD1' HD22 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.55 HG21 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 0.0 OUTLIER -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.238 0.476 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.92 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.478 ' OG ' HG12 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.857 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.599 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.493 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.566 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.598 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.726 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.417 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.92 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.598 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.803 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1649 ' ' ALA . . . . . 0.418 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.432 -1.356 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.599 ' HB2' HD23 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.479 HG11 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.557 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 35.5 t30 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.599 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.506 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1546 ' ' TRP . . . . . 0.767 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.86 HG22 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.55 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.564 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.693 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.55 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.676 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.459 ' HB2' HG21 ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1568 ' ' GLY . . . . . 0.767 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.49 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 24.0 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.418 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.933 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.422 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' 1604 ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.482 0.182 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.68 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.933 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.435 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB1' ' HD3' ' A' 1643 ' ' PRO . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.58 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.544 HD21 HD21 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.544 HD21 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.578 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.657 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1633 ' ' THR . . . . . 0.558 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.578 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG22 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.462 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.493 -1.215 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' 1526 ' ' LEU . 3.8 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.674 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.674 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1532 ' ' LEU . . . . . 0.486 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.803 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.431 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.762 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.458 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.593 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.696 ' HB3' HG11 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.988 ' HB2' HG13 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.521 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1563 ' ' VAL . . . . . 0.988 HG13 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1567 ' ' PHE . . . . . 0.476 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.566 ' HD1' HD22 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.984 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.518 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1611 ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1618 ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1621 ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1622 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.803 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.63 HD22 HD21 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.63 HD21 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1630 ' ' ASP . . . . . 0.537 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.501 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.984 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.537 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.762 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1647 ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 50.1 mmtm 61.3 28.47 17.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 112.397 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.2 m -106.0 110.83 23.24 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -68.88 -8.16 41.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.557 ' HA ' ' HB2' ' A' 1580 ' ' ARG . 42.8 mt-10 -89.7 6.54 41.0 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.144 -1.022 . . . . 0.0 111.367 177.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.428 ' O ' ' HD2' ' A' 1579 ' ' LYS . 32.1 p80 -161.47 -22.01 0.05 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -90.23 -69.69 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 118.836 0.744 . . . . 0.0 112.754 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.14 155.06 40.51 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.435 0.636 . . . . 0.0 111.775 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p -121.8 70.46 0.95 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.384 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' THR . . . . . 0.401 ' OG1' HD21 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 32.9 t30 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.401 HD21 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.725 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.84 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.725 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.749 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.599 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.484 ' HG2' ' NH1' ' A' 1535 ' ' ARG . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.532 ' HB3' HG11 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.684 ' HB2' HG13 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.684 HG13 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.537 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.484 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.84 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' 1513 ' ' HIS . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.557 ' HB2' ' HA ' ' A' 1512 ' ' GLU . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.644 ' HD1' HD22 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.812 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.851 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p -41.7 122.22 2.32 Favored Pre-proline 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.16 102.08 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.213 1.942 . . . . 0.0 107.851 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.5 t -141.46 -164.54 1.79 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.667 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -51.67 66.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.547 0.739 . . . . 0.0 109.021 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.477 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -103.2 -37.28 7.77 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 172.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 61.43 49.83 73.13 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.33 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' 1604 ' ' LEU . 0.7 OUTLIER -71.08 -80.14 0.06 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -178.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.851 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.669 ' HB2' HG13 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.812 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' 1616 ' ' PRO . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.669 HD22 HD22 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.669 HD22 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.749 ' HZ ' HG23 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1644 ' ' LEU . . . . . 0.461 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.491 0.186 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.1 mttm 67.32 30.01 7.25 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.035 0.934 . . . . 0.0 112.0 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.0 p -94.73 -1.92 52.07 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.822 1.296 . . . . 0.0 108.319 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 16.4 m120 -126.13 37.39 4.34 Favored 'General case' 0 C--O 1.204 -1.309 0 CA-C-N 113.176 -1.829 . . . . 0.0 106.532 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -21.69 1.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -174.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -127.7 14.48 6.98 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 122.07 0.938 . . . . 0.0 108.829 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' 1579 ' ' LYS . 36.7 t70 -138.11 38.14 2.33 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -110.52 160.24 16.81 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t -78.48 74.96 5.01 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 -169.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.7 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.592 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.603 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.416 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.608 HG23 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.607 HD11 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.483 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.96 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.464 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1571 ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' 1514 ' ' ASP . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.825 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t -42.5 128.26 2.94 Favored Pre-proline 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.05 100.55 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.992 2.461 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.545 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 7.2 p -114.44 -179.24 3.58 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -50.34 15.6 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.052 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.605 ' HB2' HD21 ' A' 1604 ' ' LEU . 12.9 m -84.21 -15.51 46.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 85.95 49.29 4.33 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.57 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -89.53 -102.15 0.09 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 117.152 0.476 . . . . 0.0 111.57 -175.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.449 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.609 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.539 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.603 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.635 HD23 HD21 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.635 HD21 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.743 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.601 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.471 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' 1600 ' ' SER . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.743 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.608 ' HZ ' HG23 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.609 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 CA--C 1.495 -1.144 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 56.64 69.42 0.74 Allowed 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 124.029 0.831 . . . . 0.0 110.128 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 m -60.05 -33.91 72.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.866 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.642 ' HA ' ' HB2' ' A' 1515 ' ' ASP . 27.8 p-10 -60.91 -24.21 65.83 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.25 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.02 22.9 7.25 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' 1579 ' ' LYS . 56.6 t-80 -126.07 -49.49 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.213 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 6.6 m-20 -112.93 -17.35 12.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.73 0.776 . . . . 0.0 109.092 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1515 ' ' ASP . . . . . 0.642 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 15.9 m-20 -109.49 159.5 17.0 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t -112.53 71.9 0.76 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.607 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.402 HG23 ' HB2' ' A' 1647 ' ' GLU . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.607 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.685 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.653 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.844 HG23 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.457 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.601 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.434 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.979 ' HB2' HG12 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.979 HG12 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.656 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.425 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.653 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.495 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' 1513 ' ' HIS . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.517 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.517 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.459 HG21 HG23 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.569 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.606 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p -47.94 126.83 11.43 Favored Pre-proline 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 102.5 0.51 Allowed 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 122.632 2.221 . . . . 0.0 108.907 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.2 p -131.93 -170.37 2.39 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.675 -176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' 1632 ' ' GLN . 0.8 OUTLIER -57.15 -51.25 70.06 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.28 0.362 . . . . 0.0 110.797 -177.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.496 ' HB2' HD22 ' A' 1604 ' ' LEU . 44.8 m -101.37 -26.55 13.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.17 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.45 48.56 6.26 Favored Glycine 0 C--O 1.217 -0.949 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.604 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.609 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? -82.56 -84.72 0.12 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 117.33 0.565 . . . . 0.0 111.268 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.606 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.75 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.459 HG23 HG21 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.588 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.588 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.685 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.401 HD23 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.593 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.64 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1632 ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' 1601 ' ' LYS . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.609 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.844 ' HZ ' HG23 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.809 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' HG23 ' A' 1523 ' ' THR . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 C--O 1.221 -0.401 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 24.7 tptp -150.03 24.34 0.84 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.663 0.744 . . . . 0.0 110.275 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 48.6 m -92.14 62.21 4.11 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.076 0.941 . . . . 0.0 111.084 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -90.81 -6.32 54.46 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' 1578 ' ' ASN . 50.5 mm-40 -97.87 21.72 10.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 122.114 0.959 . . . . 0.0 111.732 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -144.28 90.52 2.11 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -144.53 -63.97 0.36 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -122.61 98.54 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.181 0.991 . . . . 0.0 108.735 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m -100.87 64.75 1.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.432 HG12 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.744 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.744 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.618 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.865 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.595 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.588 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.618 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.582 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1578 ' ' ASN . . . . . 0.469 ' HA ' ' OE1' ' A' 1512 ' ' GLU . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.561 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.631 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.421 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.424 HG12 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.424 ' HD2' HG12 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.475 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t -44.66 129.39 5.06 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.08 96.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.302 2.668 . . . . 0.0 110.173 175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.412 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 29.4 t -108.85 159.3 16.9 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.531 -173.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -52.61 62.94 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 3.6 p -97.69 -6.65 32.6 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.272 0.558 . . . . 0.0 112.025 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 85.3 49.16 4.53 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.551 -0.749 . . . . 0.0 114.418 171.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.06 -101.09 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 117.397 0.599 . . . . 0.0 110.281 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.559 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1611 ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' 1639 ' ' SER . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.808 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.88 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.559 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.578 HD22 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.585 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.563 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.442 HG21 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.559 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.563 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.865 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' A' 1613 ' ' VAL . 51.6 m80 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.88 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.483 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.4 tptp -130.38 -28.8 2.06 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.668 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 34.9 t -117.73 31.4 6.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.82 0.819 . . . . 0.0 110.681 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 65.5 t30 -116.96 35.4 4.64 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.45 -43.5 85.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.123 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.636 ' HB2' ' HD3' ' A' 1580 ' ' ARG . 63.0 m80 -100.11 108.36 20.49 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' 1579 ' ' LYS . 3.8 p30 -104.31 -5.44 21.8 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.417 0.448 . . . . 0.0 111.74 -175.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.72 112.47 14.58 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t -79.3 66.62 4.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.547 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.449 HG11 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1519 ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.732 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 56.4 t30 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.474 HG22 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1528 ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.547 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.471 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.814 HG23 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.578 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.454 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.571 ' HB3' HG11 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 1.039 ' HB2' HG13 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.717 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 1.039 HG13 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.437 ' HB2' HG23 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.471 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.583 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1578 ' ' ASN . . . . . 0.46 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.671 ' HB2' ' HA ' ' A' 1514 ' ' ASP . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' A' 1513 ' ' HIS . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.911 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.46 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.517 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.2 p -50.39 121.28 13.73 Favored Pre-proline 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -70.69 115.94 4.44 Favored 'Trans proline' 0 C--O 1.249 1.058 0 C-N-CA 123.038 2.492 . . . . 0.0 109.869 174.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.5 t -151.8 -161.51 1.33 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -51.1 -51.04 57.25 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.425 1.09 . . . . 0.0 112.682 -175.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 36.2 t -113.41 -26.31 8.4 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.97 0.891 . . . . 0.0 110.695 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.86 48.11 6.3 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.397 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.68 -94.44 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.855 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.477 ' HB3' HG13 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1611 ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.911 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.46 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.547 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.531 HD22 HD22 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.538 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.551 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.656 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.551 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.855 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.814 ' HZ ' HG23 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1644 ' ' LEU . . . . . 0.436 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.677 ' HB3' HD11 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -120.77 83.43 2.07 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.832 ' HB3' ' HB2' ' A' 1514 ' ' ASP . 26.4 m -78.59 54.38 1.47 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.367 0.603 . . . . 0.0 111.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' 1513 ' ' HIS . 3.9 t-20 -76.44 -20.21 57.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.168 -175.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.32 22.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.849 0.46 . . . . 0.0 111.808 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.539 ' O ' ' HE2' ' A' 1579 ' ' LYS . 16.3 m-70 73.84 34.64 0.89 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.639 1.175 . . . . 0.0 110.633 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.832 ' HB2' ' HB3' ' A' 1510 ' ' SER . 23.0 m-20 -89.92 -35.07 15.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.086 0.47 . . . . 0.0 110.152 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1515 ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' 1510 ' ' SER . 21.9 m-20 -149.52 160.47 43.45 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t -85.38 70.7 10.84 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.485 HG12 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.465 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 44.3 t30 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.485 ' HD2' HG12 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.521 ' HA ' ' CB ' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.413 ' HB2' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.501 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.542 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.827 HG22 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.543 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.636 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.634 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.813 ' HB2' HG12 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.53 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1561 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.636 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.813 HG12 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.501 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.542 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1571 ' ' ARG . . . . . 0.53 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.539 ' HE2' ' O ' ' A' 1513 ' ' HIS . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' 1513 ' ' HIS . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.624 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p -57.67 143.12 76.62 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 118.05 4.88 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.675 2.25 . . . . 0.0 110.054 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' 1634 ' ' CYS . 12.1 p -133.61 -170.56 2.52 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 4.2 p -120.24 3.09 10.89 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 89.81 49.9 3.24 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.664 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.56 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? -85.32 -102.13 0.06 Allowed 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.375 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.624 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.542 ' HB3' HG11 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.818 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.429 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.681 HD23 HD22 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.681 HD22 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.5 ' OD1' HG21 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.545 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1632 ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' 1600 ' ' SER . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.56 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.639 ' HB2' ' HB3' ' A' 1600 ' ' SER . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.827 ' HZ ' HG22 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.429 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 31.1 m170 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -85.4 95.72 9.34 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 121.735 -0.603 . . . . 0.0 111.239 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 46.9 m 58.79 62.42 1.92 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.084 0.945 . . . . 0.0 111.627 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -110.37 10.58 23.42 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 122.457 1.123 . . . . 0.0 108.063 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.03 -22.46 65.88 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.695 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 45.7 m80 -86.6 134.89 33.6 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.7 -17.47 38.33 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.52 136.86 47.43 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.378 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p -78.73 81.41 5.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.65 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.6 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.754 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.754 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.673 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.573 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.776 HG23 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.558 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.669 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' ASN . . . . . 0.438 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.908 ' HB2' HG12 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.531 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.908 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.606 ' HB2' HG23 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.573 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.661 HD13 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.633 ' HD1' HD21 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.908 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 52.8 t -34.32 111.37 0.4 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1599 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.8 Cg_exo -77.17 115.32 3.95 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.523 2.815 . . . . 0.0 111.449 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.4 t -151.84 -166.06 2.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 0.8 OUTLIER -59.59 -47.82 84.07 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.001 0.52 . . . . 0.0 110.029 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -95.04 -36.73 11.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 68.53 50.05 40.02 Favored Glycine 0 C--O 1.248 0.976 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.332 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' 1602 ' ' SER . 1.4 mm? -72.75 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.445 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.508 ' HB2' HG13 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.908 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.404 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.587 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.468 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.543 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.716 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.545 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.716 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG23 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.532 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.458 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1649 ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.32 128.09 11.7 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 t 80.04 -38.6 0.17 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.373 1.069 . . . . 0.0 110.786 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -94.88 35.92 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.849 1.309 . . . . 0.0 108.165 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -94.35 -32.46 13.59 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.99 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -117.26 111.5 19.5 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.744 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.639 ' HB3' ' HE2' ' A' 1579 ' ' LYS . 29.8 m-20 -105.43 20.44 18.88 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.641 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m -86.72 72.62 10.16 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 -177.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.435 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.575 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.601 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.513 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.855 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.609 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.62 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.9 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.418 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.9 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.573 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1571 ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' 1514 ' ' ASP 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.509 ' HD1' HD21 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.448 HG22 HG21 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.434 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t -36.47 112.32 0.53 Allowed Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.14 119.47 6.39 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.979 2.453 . . . . 0.0 109.928 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.0 t -151.64 -159.48 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -62.51 -48.64 78.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.941 0.497 . . . . 0.0 109.805 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -105.36 -36.48 7.17 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.469 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.18 48.46 5.69 Favored Glycine 0 CA--C 1.502 -0.754 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.69 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.2 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.557 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.448 HG21 HG22 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.51 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.513 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.609 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.609 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.855 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.51 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.123 0.487 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -130.4 101.79 5.9 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.687 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.821 ' HB2' ' HB3' ' A' 1578 ' ' ASN . 62.4 m -100.46 57.88 0.94 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.724 0.773 . . . . 0.0 110.395 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -96.62 -5.65 38.55 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.5 -18.09 58.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.463 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.471 ' O ' ' HD2' ' A' 1579 ' ' LYS . 44.2 m-70 -92.13 147.7 22.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -105.67 -12.03 16.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.306 1.05 . . . . 0.0 108.188 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -105.07 159.18 16.03 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.391 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t -132.07 78.24 1.8 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.688 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.688 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.472 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.423 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.678 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.681 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.623 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.583 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.61 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.411 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.928 ' HB2' HG12 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.61 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.928 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.508 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1571 ' ' ARG . . . . . 0.516 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1578 ' ' ASN . . . . . 0.821 ' HB3' ' HB2' ' A' 1510 ' ' SER . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' 1513 ' ' HIS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.7 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.445 ' HA ' ' OH ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.801 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.467 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t -49.37 128.58 17.41 Favored Pre-proline 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.68 90.63 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 122.798 2.332 . . . . 0.0 110.207 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.45 ' HB2' ' H ' ' A' 1604 ' ' LEU . 1.8 m -84.01 179.09 7.61 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.315 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.64 -52.14 62.12 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 m -94.33 5.14 52.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.556 0.693 . . . . 0.0 111.232 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 69.25 48.8 43.62 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.474 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.45 ' H ' ' HB2' ' A' 1600 ' ' SER . 1.8 mm? -78.04 -97.24 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.514 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.801 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.598 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.615 ' HB2' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.678 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.497 HD22 HD22 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.51 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.522 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.522 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.623 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.496 0.188 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.02 5.14 5.34 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.82 0.819 . . . . 0.0 109.648 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.2 m 61.61 35.24 17.3 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.563 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.508 ' HA ' ' HB2' ' A' 1514 ' ' ASP . 3.3 t-20 -120.16 2.32 10.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.0 -42.37 48.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.35 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.1 m80 -117.99 98.9 6.57 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 169.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.508 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 31.4 t70 -137.15 51.48 1.95 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 122.535 1.159 . . . . 0.0 108.38 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 128.58 45.76 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.864 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t -83.88 66.87 9.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 -175.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.646 ' HB2' HD23 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.844 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.844 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.561 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.701 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.607 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.517 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.701 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.876 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.417 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.601 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.426 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.679 ' HB3' HG12 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1557 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1558 ' ' ASN . . . . . 0.456 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 1.031 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.426 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 1.031 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1564 ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.435 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.541 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.474 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.517 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.432 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.596 ' HD1' HD22 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 42.1 t -46.71 130.57 8.44 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.12 90.12 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.957 2.438 . . . . 0.0 111.785 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.594 ' HB3' ' HA ' ' A' 1633 ' ' THR . 4.0 m -86.55 -176.71 5.95 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.26 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -48.51 67.54 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.453 ' HB2' HD22 ' A' 1604 ' ' LEU . 23.2 m -91.47 0.7 57.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.399 0.619 . . . . 0.0 111.295 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 70.65 49.47 30.06 Favored Glycine 0 C--O 1.22 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.88 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' 1602 ' ' SER . 2.1 mm? -79.83 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.541 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.478 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.87 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.493 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.597 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.597 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1623 ' ' ARG . . . . . 0.412 ' NH1' HG21 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.634 HD22 HD21 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.634 HD21 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.581 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.798 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.594 ' HA ' ' HB3' ' A' 1600 ' ' SER . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.504 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.581 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.876 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.457 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.401 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 31.7 m170 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1509 ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' 1512 ' ' GLU . 24.3 pttm -114.93 151.65 33.68 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.4 p -123.05 11.13 9.49 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -103.97 24.41 11.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.758 0.79 . . . . 0.0 109.385 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.443 ' HB3' ' HE2' ' A' 1509 ' ' LYS . 0.0 OUTLIER -86.69 21.47 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.496 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -125.72 139.25 53.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.7 -3.58 58.96 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.605 0.717 . . . . 0.0 110.681 -173.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -91.83 115.07 27.75 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.521 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t -103.38 88.9 3.22 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' THR . . . . . 0.401 ' OG1' HD21 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.507 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 27.9 t30 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.401 HD21 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.507 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.696 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.608 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.587 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.691 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.532 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.624 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1557 ' ' GLU . . . . . 0.441 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.831 ' HB2' HG12 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.532 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.544 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.608 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.544 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.421 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.61 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.61 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.874 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p -46.41 151.36 1.0 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -68.7 90.92 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.765 2.31 . . . . 0.0 109.096 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.61 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 47.7 t -103.43 174.15 6.0 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.073 -173.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -82.44 -51.55 7.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 19.0 m -87.73 -24.21 23.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.537 0.684 . . . . 0.0 110.617 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.61 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 86.26 48.41 4.58 Favored Glycine 0 CA--C 1.505 -0.538 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.679 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.441 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.9 OUTLIER -81.81 -94.82 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 -178.063 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.937 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.495 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.874 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.479 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.648 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.648 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.677 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.431 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.937 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.527 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.696 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.501 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 CA--C 1.507 -0.687 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.56 115.84 28.37 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.515 ' HB2' ' OE2' ' A' 1512 ' ' GLU . 19.7 m -105.74 -168.37 1.44 Allowed 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.5 m120 -135.14 31.24 3.25 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.515 ' OE2' ' HB2' ' A' 1510 ' ' SER . 0.0 OUTLIER -71.09 -9.82 58.7 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.41 -1.723 . . . . 0.0 114.057 -170.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 82.7 t60 78.97 53.98 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 122.546 1.165 . . . . 0.0 109.982 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -74.43 -69.29 0.46 Allowed 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.095 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.75 146.62 31.3 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 122.278 0.231 . . . . 0.0 110.739 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t -130.84 84.75 2.21 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.74 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.74 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.408 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.559 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.488 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.596 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.867 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.576 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.656 ' HB3' HG12 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.96 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.488 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.596 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.74 HG11 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.444 ' HD1' HD22 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.863 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.664 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.612 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p -52.17 127.42 37.9 Favored Pre-proline 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.7 121.38 7.88 Favored 'Trans proline' 0 N--CA 1.442 -1.519 0 C-N-CA 122.027 1.818 . . . . 0.0 108.527 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' 1631 ' ' LYS . 53.7 m -150.79 -167.93 2.96 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -52.07 64.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.407 0.442 . . . . 0.0 110.136 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.0 m -108.02 -27.28 10.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.108 0.956 . . . . 0.0 111.337 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.98 48.19 55.62 Favored Glycine 0 CA--C 1.49 -1.524 0 CA-C-N 114.006 -1.452 . . . . 0.0 112.994 172.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.444 ' H ' HD21 ' A' 1604 ' ' LEU . 2.1 mm? -67.49 -78.3 0.06 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.664 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.74 ' HB2' HG11 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.863 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.559 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.502 HD21 HD21 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.502 HD21 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.537 ' OD1' HG21 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' 1600 ' ' SER . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.537 HG21 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.867 ' HZ ' HG23 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1649 ' ' ALA . . . . . 0.483 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 64.7 mttm 51.76 54.9 10.15 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.472 0.709 . . . . 0.0 112.235 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 19.3 m -98.63 -11.17 22.34 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.616 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.66 -28.68 67.91 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.091 0.472 . . . . 0.0 110.255 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.41 -23.11 67.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.54 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.57 -4.72 37.17 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 120.9 0.381 . . . . 0.0 111.846 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.94 53.69 1.73 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.797 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -47.04 137.42 7.58 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.173 0.987 . . . . 0.0 112.89 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t -122.28 83.93 2.18 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.796 -176.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.632 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.632 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.523 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.638 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1545 ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.846 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.617 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.475 ' SG ' HD13 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.423 ' HB3' HG12 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1557 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.908 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.523 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.474 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD22 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.873 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.475 HD13 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.443 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t -41.64 120.9 2.17 Favored Pre-proline 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1599 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 25.0 Cg_exo -65.47 90.61 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.408 2.739 . . . . 0.0 110.562 177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.644 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 2.2 p -105.84 -176.18 3.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.377 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -62.81 -51.23 67.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.772 0.26 . . . . 0.0 110.509 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.407 ' HB2' HD23 ' A' 1604 ' ' LEU . 69.9 m -93.88 -0.57 55.63 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.4 48.98 27.66 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.965 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.407 HD23 ' HB2' ' A' 1602 ' ' SER . 1.6 mm? -80.71 -100.01 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 -176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.466 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.443 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.873 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.478 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.638 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.564 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.713 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.464 HG21 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' 1600 ' ' SER . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.713 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.846 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1509 ' ' LYS . . . . . 0.425 ' C ' ' HG ' ' A' 1510 ' ' SER . 99.0 mttt 70.39 50.44 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 110.778 178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' 1518 ' ' VAL . 50.9 m -154.42 -40.61 0.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -126.56 -2.82 6.73 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.29 -13.59 59.07 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -172.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.619 ' HA ' ' O ' ' A' 1579 ' ' LYS . 20.7 m-70 68.04 20.49 9.06 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.76 0.824 . . . . 0.0 110.876 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.17 -40.05 38.99 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.316 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -154.1 160.42 41.94 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t -73.92 76.57 1.66 Allowed 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.922 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.3 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' 1510 ' ' SER . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.549 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.831 ' HB ' ' HB3' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.922 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.693 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.601 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.659 HG23 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.612 HD13 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.663 ' HB2' HG12 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 1.026 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 1.026 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.518 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.523 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.643 ' HB2' HG23 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.614 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' A' 1513 ' ' HIS . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.638 HD13 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.419 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.806 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' 1552 ' ' ILE . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.428 HG21 HG22 ' A' 1609 ' ' VAL . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.414 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.9 p -33.39 122.01 0.46 Allowed Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -74.29 102.68 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.43 2.087 . . . . 0.0 108.531 174.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 22.9 t -151.1 -165.19 2.19 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.372 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -51.2 -52.05 48.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 125.044 1.338 . . . . 0.0 111.192 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1602 ' ' SER . . . . . 0.622 ' HB2' HD21 ' A' 1604 ' ' LEU . 18.4 m -113.72 -16.46 12.3 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 119.965 -0.694 . . . . 0.0 112.46 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 65.64 48.56 66.43 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.621 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.622 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -77.92 -86.05 0.06 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.785 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.428 HG22 HG21 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.806 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.624 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.515 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.515 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.693 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.612 HD23 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.612 HD23 HD23 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.694 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.523 ' HA ' HD22 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.484 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.452 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.659 ' HZ ' HG23 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.624 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.479 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1649 ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 84.4 mtp . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -118.59 -27.66 5.85 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 73.9 m 69.94 36.01 2.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.293 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -84.07 9.49 12.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.27 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -82.02 -1.97 50.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.292 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -127.08 133.88 50.36 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.007 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.32 7.16 12.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.95 113.83 25.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.655 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t -92.32 69.25 5.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' 1526 ' ' LEU . 3.8 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.604 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 50.2 t30 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.604 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1529 ' ' LEU . . . . . 0.464 HD21 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' 1552 ' ' ILE . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.569 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.792 ' HB1' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.78 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.777 HG22 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.594 HD13 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.544 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.613 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.726 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.544 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.59 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.517 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.78 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.59 ' HB ' ' HB1' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.647 HD13 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD22 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.512 HG23 HG23 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 26.5 p -38.02 145.41 0.32 Allowed Pre-proline 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1599 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 5.7 Cg_exo -77.55 90.37 1.26 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 C-N-CA 122.509 2.139 . . . . 0.0 110.759 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' 1632 ' ' GLN . 16.5 p -123.91 -164.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' 1601 ' ' LYS . 37.4 ttpt -64.16 -52.5 58.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 t -103.03 -24.83 13.61 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.521 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 78.58 47.0 8.29 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' 1604 ' ' LEU . 2.2 mm? -67.35 -85.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.968 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.44 ' HB2' HG12 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.512 HG23 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.894 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.792 ' HG2' ' HB1' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.547 HD21 HD22 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.547 HD22 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.616 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.655 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1632 ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' 1600 ' ' SER . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.421 HG21 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.968 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.777 ' HZ ' HG22 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ2' HD21 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.612 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 65.2 24.25 12.31 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.888 0.743 . . . . 0.0 112.802 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 43.2 t 68.54 164.91 0.24 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.197 0.999 . . . . 0.0 112.501 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -11.76 4.78 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 172.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.85 -42.58 63.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.427 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.0 p80 -101.75 8.39 41.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.552 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 1.1 t70 -131.14 49.39 2.33 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -172.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.07 148.48 31.02 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t -74.48 74.38 1.94 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 -174.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.623 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.62 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.626 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' 1534 ' ' GLY . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.807 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.594 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.854 HG23 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.623 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.606 HD11 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.699 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG12 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.702 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.529 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 1.001 HG12 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.469 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.594 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.491 ' HB2' ' OD2' ' A' 1514 ' ' ASP . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.552 ' NH2' ' HA ' ' A' 1514 ' ' ASP . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.575 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.555 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.903 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.417 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p -42.68 123.44 2.96 Favored Pre-proline 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.28 90.68 0.47 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.883 2.389 . . . . 0.0 111.204 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 p -126.48 -165.84 1.5 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.185 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -50.32 60.51 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.226 1.011 . . . . 0.0 110.718 -177.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.0 t -108.93 -33.8 6.82 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.82 46.49 7.77 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.455 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' HD22 ' A' 1604 ' ' LEU . 1.8 mm? -67.26 -81.47 0.03 OUTLIER 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 -175.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.683 ' HB2' HG11 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1611 ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.903 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.434 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.489 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.807 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.603 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.603 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.519 ' OD2' HG21 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.519 HG21 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.546 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG23 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1648 ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.241 0.633 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 94.6 mttt 74.82 178.5 0.21 Allowed 'General case' 0 C--O 1.251 1.163 0 C-N-CA 124.93 1.292 . . . . 0.0 111.642 175.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' 1512 ' ' GLU . 18.4 m 71.0 96.07 0.07 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 110.737 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.06 28.82 0.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' 1510 ' ' SER . 36.9 mt-10 -77.46 -26.63 51.59 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 174.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -75.32 126.97 32.1 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.9 t0 -87.15 52.28 2.47 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.65 1.214 . . . . 0.0 109.187 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -121.05 159.72 25.09 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t -77.3 82.68 3.77 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 -171.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.697 ' HB2' HD23 ' A' 1526 ' ' LEU . 2.9 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.402 HG11 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.705 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.705 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' 1534 ' ' GLY . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' 1532 ' ' LEU . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.448 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.406 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.792 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.534 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.59 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.864 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.547 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.728 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.985 ' HB2' HG12 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.985 HG12 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.534 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 26.0 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.625 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.785 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.864 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.617 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.619 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.654 ' N ' HE21 ' A' 1586 ' ' GLN . 0.0 OUTLIER 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.617 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.505 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.405 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p -50.27 121.68 14.03 Favored Pre-proline 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.28 113.88 2.43 Favored 'Trans proline' 0 C--O 1.244 0.814 0 C-N-CA 122.773 2.315 . . . . 0.0 109.738 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 18.6 m -138.34 -175.08 3.99 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -51.26 64.16 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.16 0.584 . . . . 0.0 110.058 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 42.4 t -98.7 -36.55 9.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.52 48.87 5.41 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.208 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.6 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.44 ' HG3' HG21 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.785 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1609 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1611 ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.838 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.412 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.575 HD22 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.575 HD23 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.459 ' OD2' HG21 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.659 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.459 HG21 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.44 HG21 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.488 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.792 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.412 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 55.3 m170 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' 1618 ' ' ALA . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1508 ' ' MET . . . . . 0.463 ' HE1' ' HG2' ' A' 1512 ' ' GLU . 24.4 ptm . . . . . 0 C--O 1.246 0.908 0 CA-C-O 120.608 0.242 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.92 -40.17 96.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.061 0.458 . . . . 0.0 110.663 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.4 t -92.16 29.34 1.66 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.635 0.731 . . . . 0.0 109.383 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -124.52 -45.04 1.95 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.463 ' HG2' ' HE1' ' A' 1508 ' ' MET . 40.3 mt-10 -65.86 -57.85 6.96 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 57.1 m80 65.95 151.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.342 1.057 . . . . 0.0 112.334 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -112.61 39.6 2.45 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 172.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -142.98 160.18 40.84 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t -85.38 66.55 9.75 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.678 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.418 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.402 ' HB2' ' HG1' ' A' 1523 ' ' THR . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.678 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.468 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.49 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.443 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.803 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.606 HD13 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.509 ' HB2' HG11 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.952 ' HB2' HG13 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.409 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.952 HG13 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.549 ' HB2' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.507 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.507 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.661 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.766 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.732 ' HD1' HD22 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.55 HG21 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.766 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 0.0 OUTLIER -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.447 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 28.4 p -45.13 145.55 1.72 Allowed Pre-proline 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1599 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 3.0 Cg_exo -76.7 90.23 1.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.56 0 C-N-CA 122.072 1.848 . . . . 0.0 109.711 175.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1600 ' ' SER . . . . . 0.518 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 5.3 p -107.38 173.96 6.09 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.638 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.93 -51.95 62.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.61 0.569 . . . . 0.0 111.185 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 67.0 m -96.85 -5.07 39.13 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.859 -0.737 . . . . 0.0 112.746 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.65 49.12 25.55 Favored Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.654 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.23 -94.43 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 -175.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.92 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.478 ' OG ' HG12 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.857 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.599 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.493 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.566 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.598 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.726 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.417 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.92 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.598 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.803 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1649 ' ' ALA . . . . . 0.418 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 CA--C 1.492 -1.257 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 55.24 50.81 14.27 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.883 0.739 . . . . 0.0 110.231 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.9 t -64.85 98.17 0.26 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.374 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' 1515 ' ' ASP . 2.9 t-20 -135.04 36.82 3.03 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.778 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.46 -29.82 12.53 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.663 -0.648 . . . . 0.0 110.824 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.5 t60 -75.52 -48.88 20.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.07 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.11 50.87 0.83 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.157 0.98 . . . . 0.0 109.348 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' ASP . . . . . 0.653 ' HB2' ' O ' ' A' 1511 ' ' ASN . 31.2 t70 -108.21 158.31 17.56 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.883 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.599 ' HB2' HD23 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.479 HG11 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.557 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 35.5 t30 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.599 HD23 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.506 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.767 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.86 HG22 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.55 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.564 ' HB3' HG12 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.693 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.55 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.676 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.459 ' HB2' HG21 ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.767 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.49 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 24.0 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.68 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.418 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.933 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.422 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p -50.94 135.31 28.28 Favored Pre-proline 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.27 89.35 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 121.889 1.726 . . . . 0.0 111.773 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 4.2 m -85.73 179.08 7.14 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.001 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 1.1 tmmt? -59.67 -51.35 70.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 68.5 m -96.19 3.16 53.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.305 0.574 . . . . 0.0 111.882 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.23 49.6 51.37 Favored Glycine 0 CA--C 1.498 -1.022 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.59 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' 1604 ' ' LEU . 1.3 mm? -80.53 -101.57 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.362 -175.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.68 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.933 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.435 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB1' ' HD3' ' A' 1643 ' ' PRO . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.58 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.544 HD21 HD21 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.544 HD21 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.578 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.657 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.558 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.578 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG22 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB1' ' A' 1618 ' ' ALA . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.462 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.51 -0.559 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.65 105.1 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 11.9 t -128.92 141.64 51.21 Favored 'General case' 0 N--CA 1.425 -1.705 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.03 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -128.35 28.14 5.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -94.92 -16.67 22.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.795 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 51.6 t60 -99.47 2.62 45.16 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.558 ' HB3' ' HB2' ' A' 1579 ' ' LYS . 1.7 m-20 -98.91 43.32 1.06 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.418 -176.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.81 133.22 33.92 Favored 'General case' 0 CA--C 1.493 -1.224 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m -85.91 73.31 10.35 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' 1526 ' ' LEU . 3.8 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.674 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.674 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1532 ' ' LEU . . . . . 0.486 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.803 ' HB3' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.431 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.762 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.458 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.593 HD11 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.696 ' HB3' HG11 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.988 ' HB2' HG13 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.521 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1563 ' ' VAL . . . . . 0.988 HG13 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1567 ' ' PHE . . . . . 0.476 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.558 ' HB2' ' HB3' ' A' 1514 ' ' ASP . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.566 ' HD1' HD22 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 16.5 p -38.81 141.17 0.61 Allowed Pre-proline 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1599 ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.9 Cg_endo -80.08 95.37 1.01 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.441 2.761 . . . . 0.0 110.672 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 12.8 m -124.45 -172.71 2.61 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.962 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.33 -48.0 83.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 21.7 t -105.2 -32.41 8.67 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.49 0.662 . . . . 0.0 109.954 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.03 49.12 6.14 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.529 -0.76 . . . . 0.0 114.028 172.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.07 -87.96 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 -174.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.984 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.518 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1611 ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.51 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.803 ' HG2' ' HB3' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.63 HD22 HD21 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.63 HD21 HD22 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1630 ' ' ASP . . . . . 0.537 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.501 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.984 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.537 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.762 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.187 0.994 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' THR . . . . . 0.407 ' OG1' HD23 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.525 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 2.8 t-20 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.445 ' HD2' HD21 ' A' 1520 ' ' ASN . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.407 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.491 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.646 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.776 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.865 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.756 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.614 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' 1562 ' ' GLY . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.559 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.707 ' HB2' HG11 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.533 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.546 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.495 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.865 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.651 ' HD1' HD23 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.816 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' 1608 ' ' SER . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.855 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.437 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.855 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.708 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.816 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' 1615 ' ' ARG . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.472 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.692 HD21 HD23 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.435 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.756 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1644 ' ' LEU . . . . . 0.465 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t . . . . . 0 N--CA 1.437 -1.09 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.681 ' HB2' HD21 ' A' 1526 ' ' LEU . 12.5 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.606 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 2.9 t-20 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.606 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.435 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.617 HG21 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.548 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.523 ' HB3' HG13 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.999 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.548 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.465 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.41 ' HB2' ' H ' ' A' 1605 ' ' SER . 1.1 mm? . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.41 ' H ' ' HB2' ' A' 1604 ' ' LEU . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.528 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.83 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.63 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.551 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.66 HD21 HD23 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.66 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.761 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.673 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.476 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.761 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.617 ' HZ ' HG21 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.63 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.621 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' 1517 ' ' GLN . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.658 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.854 HG21 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.613 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.684 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.454 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.684 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.001 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.658 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.741 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.769 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.485 HG23 HG22 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? . . . . . 0 C--O 1.239 0.543 0 CA-C-O 120.966 0.412 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.611 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.741 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.485 HG22 HG23 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.769 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.415 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.703 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG21 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' 1622 ' ' ASN . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.833 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.248 0.997 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.759 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.759 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.674 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.627 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.627 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.634 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.437 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t . . . . . 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.446 -0.636 0 CA-C-O 121.084 0.469 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.583 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.447 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1611 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1588 ' ' LEU . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.813 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.921 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.576 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.674 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.597 HD21 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.597 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.575 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.427 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.453 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.583 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.593 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.575 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 97.2 m-70 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.921 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.241 0.657 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.467 HG13 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1519 ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.748 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.7 t-20 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' THR . . . . . 0.464 HG21 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.748 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1528 ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.479 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.819 HG21 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.58 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.588 ' HB3' HG13 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.059 ' HB2' HG11 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.059 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.479 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.42 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 92.1 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1578 ' ' ASN . . . . . 0.499 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.486 ' HG2' ' HA ' ' A' 1553 ' ' CYS . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.499 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.874 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1611 ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.912 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.558 HD21 HD23 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.558 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.735 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.874 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.545 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.819 ' HZ ' HG21 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 1642 ' ' THR . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.707 ' HB3' HD13 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.484 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.7 t-20 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.489 ' HD2' HG13 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.503 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.558 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.821 HG21 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.554 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.554 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.674 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.661 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.85 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.545 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.503 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.558 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' 1590 ' ' LEU . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' 1593 ' ' LYS . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.619 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.619 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.516 ' HB3' HG12 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.457 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.705 HD21 HD23 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.705 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.506 ' OD1' HG22 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.625 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.615 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.432 HG23 ' HG3' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.821 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 42.5 m-70 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.669 ' HB2' HD21 ' A' 1526 ' ' LEU . 14.4 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.772 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.772 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.703 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.583 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.776 HG21 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.572 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.685 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' ASN . . . . . 0.442 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.958 ' HB2' HG11 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.619 ' HB2' HG22 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.583 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.641 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.915 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.52 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.529 ' HB2' HG11 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.6 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.6 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.409 HD21 HD23 ' A' 1629 ' ' LEU . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.555 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.726 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.609 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.726 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG21 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.542 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.457 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1649 ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' SER . . . . . 0.423 ' HB3' HD21 ' A' 1520 ' ' ASN . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1528 ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.61 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' A' 1542 ' ' TYR . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.86 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.461 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.625 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.668 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.641 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.954 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.44 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.668 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.554 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.601 ' HB2' ' SG ' ' A' 1516 ' ' CYS 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.456 HG23 HG22 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.484 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.566 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.453 ' HB3' HG11 ' A' 1574 ' ' VAL . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.456 HG22 HG23 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.574 HD21 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.574 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.636 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.566 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.636 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.513 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.406 ' HA ' HD23 ' A' 1581 ' ' LEU . 14.0 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.7 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.7 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.438 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.707 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.627 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.594 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.637 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.43 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.959 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.637 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.959 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.514 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.53 ' HB2' HG22 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.707 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.528 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.402 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.464 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' 1590 ' ' LEU . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.4 ' HB2' ' H ' ' A' 1605 ' ' SER . 1.8 mm? . . . . . 0 N--CA 1.437 -1.122 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.529 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.81 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.52 HD21 HD23 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.523 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.528 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.678 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.529 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.627 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.651 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.855 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.855 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.574 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.737 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.615 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.551 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.737 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.884 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.414 ' HB3' HG12 ' A' 1548 ' ' VAL . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.612 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.689 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1558 ' ' ASN . . . . . 0.462 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.058 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.058 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1564 ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.542 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.551 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1577 ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.595 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.883 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.883 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.608 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1623 ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.662 HD21 HD23 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.662 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.596 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.854 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.51 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.608 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.596 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.884 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.481 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.249 1.03 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1519 ' ' THR . . . . . 0.409 ' OG1' HD23 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.52 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 2.9 t-20 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.425 ' HD2' HD21 ' A' 1520 ' ' ASN . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.409 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.52 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.699 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.616 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.601 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.702 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.636 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.89 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.632 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.89 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 22.5 m120 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.702 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.653 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.653 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' 1590 ' ' LEU . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.419 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.419 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.446 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.446 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.931 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.514 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.668 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.668 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.696 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.504 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.931 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.696 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.699 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.753 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1522 ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' 1520 ' ' ASN . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1523 ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.753 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.404 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.486 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.599 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.478 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1554 ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' 1577 ' ' ALA . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.678 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.99 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1564 ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.486 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.599 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.756 HG12 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB1' ' H ' ' A' 1554 ' ' GLY . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.446 ' HD1' HD23 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.865 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.617 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p . . . . . 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' 1633 ' ' THR . 2.1 mm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.756 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.865 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1613 ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.522 HD21 HD23 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.522 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.518 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.42 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1649 ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t . . . . . 0 N--CA 1.419 -1.996 0 CA-C-O 121.882 0.849 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.651 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' SER . . . . . 0.411 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1545 ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.852 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.633 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.446 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.972 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.496 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.52 ' HD1' HD23 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.489 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.476 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.473 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.499 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.493 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.57 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.712 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.478 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.482 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.852 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1644 ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.938 ' HB2' HD21 ' A' 1526 ' ' LEU . 13.0 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.462 HG13 ' HD2' ' A' 1527 ' ' PHE . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.608 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.664 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.639 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.041 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.041 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.661 ' HB2' HG22 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.444 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.43 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' 1590 ' ' LEU . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.444 HG22 ' HD2' ' A' 1593 ' ' LYS . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.444 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' 1633 ' ' THR . 1.1 mm? . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.772 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.577 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.406 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.414 HG22 HG23 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.805 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.533 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.64 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.64 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.505 ' OD1' HG22 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.536 ' HA ' HD23 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.606 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.509 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1649 ' ' ALA . . . . . 0.85 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' 1527 ' ' PHE . 18.2 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.619 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.9 t-20 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.496 HD12 HD22 ' A' 1529 ' ' LEU . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.814 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.688 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.791 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.784 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.611 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.605 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.645 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.766 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.523 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.791 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD23 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.896 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1590 ' ' LEU . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.522 HG23 HG22 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.97 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.483 ' HB2' HG11 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.522 HG22 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.896 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.814 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1625 ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' 1627 ' ' ILE . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.564 HD21 HD23 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' 1625 ' ' MET . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.564 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.63 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.755 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.427 HG22 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.97 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.784 ' HZ ' HG21 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.42 ' CZ2' HD22 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.637 ' HB2' HD21 ' A' 1526 ' ' LEU . 12.4 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.637 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1528 ' ' ASP . . . . . 0.42 ' O ' HD13 ' A' 1644 ' ' LEU . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.608 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.875 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.629 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.721 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.708 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.478 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.608 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.672 HG12 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1594 ' ' ASP . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.501 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.551 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.904 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.436 HG23 HG22 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' 1576 ' ' LYS . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.672 ' HB2' HG12 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.436 HG22 HG23 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1611 ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.904 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.401 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.5 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.637 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.637 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.875 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.472 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1644 ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' 1528 ' ' ASP . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1648 ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t . . . . . 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.712 ' HB2' HD21 ' A' 1526 ' ' LEU . 13.4 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.403 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.714 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.714 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.714 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.479 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.428 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.543 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.607 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.873 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.586 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.739 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' 1535 ' ' ARG . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 66.5 t30 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.725 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.676 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.543 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 94.3 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.779 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.873 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.637 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.629 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.404 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 2.1 mp0 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.637 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.489 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.408 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.779 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.489 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.855 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.714 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.598 HD21 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.598 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.467 ' OD2' HG22 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.746 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.467 HG22 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.693 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' THR . . . . . 0.435 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.693 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.505 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.489 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.451 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.806 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.609 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.418 ' HB2' ' ND2' ' A' 1556 ' ' ASN . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.605 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.52 ' HB2' HG13 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.474 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.526 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.792 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.743 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' 1584 ' ' VAL . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.3 tp60 -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.493 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.48 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.238 0.476 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.927 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.484 ' OG ' HG11 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.862 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.49 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.574 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.614 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.778 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.424 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.927 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1649 ' ' ALA . . . . . 0.435 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.432 -1.356 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.566 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 2.9 t-20 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.484 ' HD2' HD21 ' A' 1520 ' ' ASN . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.54 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1546 ' ' TRP . . . . . 0.763 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.859 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.667 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.622 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.585 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.718 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.713 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.622 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1564 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.683 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.485 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1568 ' ' GLY . . . . . 0.763 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.524 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 96.1 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.686 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1577 ' ' ALA . . . . . 0.429 ' HB2' ' HA2' ' A' 1564 ' ' GLY . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.427 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' 1604 ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.482 0.182 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.686 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.939 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.567 HD21 HD23 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' 1639 ' ' SER . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.567 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.56 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.732 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.554 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.56 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.859 ' HZ ' HG21 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' 1627 ' ' ILE . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.419 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1642 ' ' THR . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.427 ' OE1' ' HG3' ' A' 1586 ' ' GLN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.493 -1.215 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' 1526 ' ' LEU . 14.2 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.687 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.439 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.473 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.597 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.561 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.71 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.561 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.648 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1567 ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.576 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.836 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.998 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1611 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.836 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1618 ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1621 ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1622 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.657 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.657 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1630 ' ' ASP . . . . . 0.553 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.604 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.998 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.553 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.502 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1647 ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 50.1 mmtm 61.3 28.47 17.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 112.397 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.2 m -106.0 110.83 23.24 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -68.88 -8.16 41.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.587 ' HA ' ' HB2' ' A' 1580 ' ' ARG . 42.8 mt-10 -89.7 6.54 41.0 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.144 -1.022 . . . . 0.0 111.367 177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.436 ' O ' ' HD2' ' A' 1579 ' ' LYS . 32.1 p80 -161.47 -22.01 0.05 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -90.23 -69.69 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 118.836 0.744 . . . . 0.0 112.754 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.14 155.06 40.51 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.435 0.636 . . . . 0.0 111.775 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p -121.8 70.46 0.95 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.384 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' THR . . . . . 0.407 ' OG1' HD23 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.525 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 2.8 t-20 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.445 ' HD2' HD21 ' A' 1520 ' ' ASN . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.407 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.491 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.646 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.776 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.865 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.756 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.614 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' 1562 ' ' GLY . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.559 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.707 ' HB2' HG11 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.533 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.546 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.495 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.865 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1513 ' ' HIS . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' 1512 ' ' GLU . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.651 ' HD1' HD23 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.816 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' 1608 ' ' SER . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.855 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p -41.7 122.22 2.32 Favored Pre-proline 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.16 102.08 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.213 1.942 . . . . 0.0 107.851 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.5 t -141.46 -164.54 1.79 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.667 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -51.67 66.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.547 0.739 . . . . 0.0 109.021 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -103.2 -37.28 7.77 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 172.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 61.43 49.83 73.13 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.33 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.687 ' H ' HD22 ' A' 1604 ' ' LEU . 0.7 OUTLIER -71.08 -80.14 0.06 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -178.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.855 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.708 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.816 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' 1615 ' ' ARG . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.472 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.692 HD21 HD23 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.435 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.756 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1644 ' ' LEU . . . . . 0.465 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.491 0.186 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.1 mttm 67.32 30.01 7.25 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.035 0.934 . . . . 0.0 112.0 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.0 p -94.73 -1.92 52.07 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.822 1.296 . . . . 0.0 108.319 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 16.4 m120 -126.13 37.39 4.34 Favored 'General case' 0 C--O 1.204 -1.309 0 CA-C-N 113.176 -1.829 . . . . 0.0 106.532 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -21.69 1.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -174.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -127.7 14.48 6.98 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 122.07 0.938 . . . . 0.0 108.829 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1579 ' ' LYS . 36.7 t70 -138.11 38.14 2.33 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -110.52 160.24 16.81 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t -78.48 74.96 5.01 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 -169.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.681 ' HB2' HD21 ' A' 1526 ' ' LEU . 12.5 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.606 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 2.9 t-20 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.606 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.435 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.617 HG21 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.548 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.523 ' HB3' HG13 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.999 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.548 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.465 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' 1514 ' ' ASP . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t -42.5 128.26 2.94 Favored Pre-proline 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.05 100.55 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.992 2.461 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.55 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 7.2 p -114.44 -179.24 3.58 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -50.34 15.6 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.052 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.619 ' HB2' HD21 ' A' 1604 ' ' LEU . 12.9 m -84.21 -15.51 46.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 85.95 49.29 4.33 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.57 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -89.53 -102.15 0.09 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 117.152 0.476 . . . . 0.0 111.57 -175.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.41 ' H ' ' HB2' ' A' 1604 ' ' LEU . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.528 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.83 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.63 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.551 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.66 HD21 HD23 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.66 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.761 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.673 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.476 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' 1600 ' ' SER . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.761 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.617 ' HZ ' HG21 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.63 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 CA--C 1.495 -1.144 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 56.64 69.42 0.74 Allowed 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 124.029 0.831 . . . . 0.0 110.128 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 m -60.05 -33.91 72.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.866 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.663 ' HA ' ' HB2' ' A' 1515 ' ' ASP . 27.8 p-10 -60.91 -24.21 65.83 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.25 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.02 22.9 7.25 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' 1579 ' ' LYS . 56.6 t-80 -126.07 -49.49 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.213 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 6.6 m-20 -112.93 -17.35 12.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.73 0.776 . . . . 0.0 109.092 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1515 ' ' ASP . . . . . 0.663 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 15.9 m-20 -109.49 159.5 17.0 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t -112.53 71.9 0.76 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.621 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' 1517 ' ' GLN . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.658 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.854 HG21 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.613 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.684 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.454 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.684 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.001 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.658 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.741 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' 1513 ' ' HIS . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.769 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.485 HG23 HG22 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p -47.94 126.83 11.43 Favored Pre-proline 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 102.5 0.51 Allowed 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 122.632 2.221 . . . . 0.0 108.907 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.2 p -131.93 -170.37 2.39 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.675 -176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' 1632 ' ' GLN . 0.8 OUTLIER -57.15 -51.25 70.06 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.28 0.362 . . . . 0.0 110.797 -177.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' 1604 ' ' LEU . 44.8 m -101.37 -26.55 13.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.17 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.45 48.56 6.26 Favored Glycine 0 C--O 1.217 -0.949 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.604 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? -82.56 -84.72 0.12 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 117.33 0.565 . . . . 0.0 111.268 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.611 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.741 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.485 HG22 HG23 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.769 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.415 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.703 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1632 ' ' GLN . . . . . 0.461 ' HA ' ' HB3' ' A' 1601 ' ' LYS . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG21 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' 1622 ' ' ASN . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.833 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 C--O 1.221 -0.401 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 24.7 tptp -150.03 24.34 0.84 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.663 0.744 . . . . 0.0 110.275 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 48.6 m -92.14 62.21 4.11 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.076 0.941 . . . . 0.0 111.084 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -90.81 -6.32 54.46 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' 1578 ' ' ASN . 50.5 mm-40 -97.87 21.72 10.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 122.114 0.959 . . . . 0.0 111.732 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -144.28 90.52 2.11 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -144.53 -63.97 0.36 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -122.61 98.54 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.181 0.991 . . . . 0.0 108.735 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m -100.87 64.75 1.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.759 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.759 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.674 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.627 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.627 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1578 ' ' ASN . . . . . 0.475 ' HA ' ' OE1' ' A' 1512 ' ' GLU . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' 1512 ' ' GLU . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.634 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.437 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t -44.66 129.39 5.06 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' 1598 ' ' CYS . 11.6 Cg_endo -57.08 96.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.302 2.668 . . . . 0.0 110.173 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.412 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 29.4 t -108.85 159.3 16.9 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.531 -173.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -52.61 62.94 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 3.6 p -97.69 -6.65 32.6 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.272 0.558 . . . . 0.0 112.025 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 85.3 49.16 4.53 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.551 -0.749 . . . . 0.0 114.418 171.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.06 -101.09 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 117.397 0.599 . . . . 0.0 110.281 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.583 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.447 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1611 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1588 ' ' LEU . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.813 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.921 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.576 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.674 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.597 HD21 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.597 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.575 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.427 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.453 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.583 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.593 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.575 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 97.2 m-70 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.921 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.4 tptp -130.38 -28.8 2.06 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.668 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 34.9 t -117.73 31.4 6.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.82 0.819 . . . . 0.0 110.681 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 65.5 t30 -116.96 35.4 4.64 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.45 -43.5 85.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.123 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.656 ' HB2' ' HD3' ' A' 1580 ' ' ARG . 63.0 m80 -100.11 108.36 20.49 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' 1579 ' ' LYS . 3.8 p30 -104.31 -5.44 21.8 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.417 0.448 . . . . 0.0 111.74 -175.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.72 112.47 14.58 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t -79.3 66.62 4.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.467 HG13 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1519 ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.748 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.7 t-20 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.464 HG21 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.748 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1528 ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.479 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.819 HG21 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.58 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.588 ' HB3' HG13 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.059 ' HB2' HG11 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.059 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.479 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.42 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 92.1 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1578 ' ' ASN . . . . . 0.499 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' 1514 ' ' ASP . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.656 ' HD3' ' HB2' ' A' 1513 ' ' HIS . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.499 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 16.2 p -50.39 121.28 13.73 Favored Pre-proline 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 17.3 Cg_exo -70.69 115.94 4.44 Favored 'Trans proline' 0 C--O 1.249 1.058 0 C-N-CA 123.038 2.492 . . . . 0.0 109.869 174.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.5 t -151.8 -161.51 1.33 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -51.1 -51.04 57.25 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.425 1.09 . . . . 0.0 112.682 -175.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 36.2 t -113.41 -26.31 8.4 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.97 0.891 . . . . 0.0 110.695 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.86 48.11 6.3 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.397 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.68 -94.44 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.874 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1611 ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.912 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.558 HD21 HD23 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.558 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.735 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.874 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.545 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.819 ' HZ ' HG21 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 1642 ' ' THR . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.707 ' HB3' HD13 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -120.77 83.43 2.07 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.852 ' HB3' ' HB2' ' A' 1514 ' ' ASP . 26.4 m -78.59 54.38 1.47 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.367 0.603 . . . . 0.0 111.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 58.8 t30 -76.44 -20.21 57.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.168 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.32 22.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.849 0.46 . . . . 0.0 111.808 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.551 ' O ' ' HE2' ' A' 1579 ' ' LYS . 16.3 m-70 73.84 34.64 0.89 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.639 1.175 . . . . 0.0 110.633 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.852 ' HB2' ' HB3' ' A' 1510 ' ' SER . 23.0 m-20 -89.92 -35.07 15.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.086 0.47 . . . . 0.0 110.152 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1515 ' ' ASP . . . . . 0.515 ' HB2' ' HB2' ' A' 1510 ' ' SER . 21.9 m-20 -149.52 160.47 43.45 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t -85.38 70.7 10.84 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.484 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.7 t-20 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.489 ' HD2' HG13 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.503 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.558 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.821 HG21 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.554 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.554 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.674 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.661 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.85 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.545 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.503 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.558 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.551 ' HE2' ' O ' ' A' 1513 ' ' HIS . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.446 ' HB2' ' CE1' ' A' 1513 ' ' HIS . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' 1590 ' ' LEU . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' 1593 ' ' LYS . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.619 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p -57.67 143.12 76.62 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 118.05 4.88 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.675 2.25 . . . . 0.0 110.054 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.668 ' HB3' ' HB2' ' A' 1634 ' ' CYS . 12.1 p -133.61 -170.56 2.52 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 4.2 p -120.24 3.09 10.89 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 89.81 49.9 3.24 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.664 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? -85.32 -102.13 0.06 Allowed 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.375 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.619 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.516 ' HB3' HG12 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.457 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.705 HD21 HD23 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.705 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.506 ' OD1' HG22 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.625 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1632 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1600 ' ' SER . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.615 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' 1600 ' ' SER . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.432 HG23 ' HG3' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.821 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 42.5 m-70 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -85.4 95.72 9.34 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 121.735 -0.603 . . . . 0.0 111.239 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 46.9 m 58.79 62.42 1.92 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.084 0.945 . . . . 0.0 111.627 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -110.37 10.58 23.42 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 122.457 1.123 . . . . 0.0 108.063 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.03 -22.46 65.88 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.695 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 45.7 m80 -86.6 134.89 33.6 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.7 -17.47 38.33 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.52 136.86 47.43 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.378 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p -78.73 81.41 5.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.669 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.6 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.772 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.772 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.703 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.583 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.776 HG21 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.572 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.685 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' ASN . . . . . 0.442 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.958 ' HB2' HG11 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.619 ' HB2' HG22 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.583 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.641 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.915 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.52 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.496 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 52.8 t -34.32 111.37 0.4 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.8 Cg_exo -77.17 115.32 3.95 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.523 2.815 . . . . 0.0 111.449 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.4 t -151.84 -166.06 2.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.415 ' HB3' ' HE3' ' A' 1601 ' ' LYS . 0.8 OUTLIER -59.59 -47.82 84.07 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.001 0.52 . . . . 0.0 110.029 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -95.04 -36.73 11.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 68.53 50.05 40.02 Favored Glycine 0 C--O 1.248 0.976 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.332 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.524 ' H ' HD22 ' A' 1604 ' ' LEU . 1.4 mm? -72.75 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.529 ' HB2' HG11 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.6 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.6 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.409 HD21 HD23 ' A' 1629 ' ' LEU . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.555 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.726 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.609 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.726 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG21 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.542 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.457 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1649 ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.32 128.09 11.7 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 t 80.04 -38.6 0.17 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.373 1.069 . . . . 0.0 110.786 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 64.3 t30 -94.88 35.92 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.849 1.309 . . . . 0.0 108.165 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -94.35 -32.46 13.59 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.99 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -117.26 111.5 19.5 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.744 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.651 ' HB3' ' HE2' ' A' 1579 ' ' LYS . 29.8 m-20 -105.43 20.44 18.88 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.641 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m -86.72 72.62 10.16 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 -177.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' SER . . . . . 0.423 ' HB3' HD21 ' A' 1520 ' ' ASN . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1528 ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.61 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' A' 1542 ' ' TYR . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.86 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.461 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.625 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.668 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.641 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.954 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.44 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.668 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.554 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.651 ' HE2' ' HB3' ' A' 1514 ' ' ASP 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.456 HG23 HG22 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.484 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t -36.47 112.32 0.53 Allowed Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 15.0 Cg_exo -70.14 119.47 6.39 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.979 2.453 . . . . 0.0 109.928 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.0 t -151.64 -159.48 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -62.51 -48.64 78.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.941 0.497 . . . . 0.0 109.805 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -105.36 -36.48 7.17 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.469 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.18 48.46 5.69 Favored Glycine 0 CA--C 1.502 -0.754 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.69 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.2 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.566 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.453 ' HB3' HG11 ' A' 1574 ' ' VAL . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.456 HG22 HG23 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.574 HD21 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.574 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.636 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.566 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.636 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.513 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.123 0.487 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -130.4 101.79 5.9 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.687 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.831 ' HB2' ' HB3' ' A' 1578 ' ' ASN . 62.4 m -100.46 57.88 0.94 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.724 0.773 . . . . 0.0 110.395 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -96.62 -5.65 38.55 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.5 -18.09 58.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.463 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.488 ' O ' ' HD2' ' A' 1579 ' ' LYS . 44.2 m-70 -92.13 147.7 22.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -105.67 -12.03 16.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.306 1.05 . . . . 0.0 108.188 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -105.07 159.18 16.03 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.391 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t -132.07 78.24 1.8 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.406 ' HA ' HD23 ' A' 1581 ' ' LEU . 14.0 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.7 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.7 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.438 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.707 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.627 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.594 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.637 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.43 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.959 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.637 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.959 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.514 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.53 ' HB2' HG22 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.707 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.528 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1578 ' ' ASN . . . . . 0.831 ' HB3' ' HB2' ' A' 1510 ' ' SER . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' 1513 ' ' HIS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.464 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' 1590 ' ' LEU . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t -49.37 128.58 17.41 Favored Pre-proline 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 13.9 Cg_exo -70.68 90.63 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 122.798 2.332 . . . . 0.0 110.207 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.447 ' HB2' ' H ' ' A' 1604 ' ' LEU . 1.8 m -84.01 179.09 7.61 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.315 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.64 -52.14 62.12 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 m -94.33 5.14 52.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.556 0.693 . . . . 0.0 111.232 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 69.25 48.8 43.62 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.474 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' ' HB2' ' A' 1600 ' ' SER . 1.8 mm? -78.04 -97.24 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.529 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.81 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.52 HD21 HD23 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.523 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.528 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.678 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.529 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.627 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.496 0.188 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.02 5.14 5.34 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.82 0.819 . . . . 0.0 109.648 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.2 m 61.61 35.24 17.3 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.563 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' 1514 ' ' ASP . 58.0 t30 -120.16 2.32 10.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.0 -42.37 48.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.35 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.1 m80 -117.99 98.9 6.57 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 169.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.513 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 31.4 t70 -137.15 51.48 1.95 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 122.535 1.159 . . . . 0.0 108.38 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 128.58 45.76 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.864 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t -83.88 66.87 9.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 -175.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.651 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.855 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.855 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.574 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.737 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.615 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.551 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.737 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.884 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.414 ' HB3' HG12 ' A' 1548 ' ' VAL . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.612 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.689 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1558 ' ' ASN . . . . . 0.462 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.058 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.058 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1564 ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.542 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.551 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1577 ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1514 ' ' ASP . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.595 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.883 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t -46.71 130.57 8.44 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.12 90.12 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.957 2.438 . . . . 0.0 111.785 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' 1633 ' ' THR . 4.0 m -86.55 -176.71 5.95 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.26 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -48.51 67.54 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.488 ' HB2' HD21 ' A' 1604 ' ' LEU . 23.2 m -91.47 0.7 57.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.399 0.619 . . . . 0.0 111.295 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 70.65 49.47 30.06 Favored Glycine 0 C--O 1.22 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.88 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' 1602 ' ' SER . 2.1 mm? -79.83 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.883 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.608 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1623 ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.662 HD21 HD23 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.662 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.596 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.854 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' 1600 ' ' SER . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.51 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.608 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.596 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.884 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.481 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1509 ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' 1512 ' ' GLU . 24.3 pttm -114.93 151.65 33.68 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.4 p -123.05 11.13 9.49 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -103.97 24.41 11.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.758 0.79 . . . . 0.0 109.385 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' A' 1509 ' ' LYS . 0.0 OUTLIER -86.69 21.47 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.496 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 32.2 m80 -125.72 139.25 53.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.7 -3.58 58.96 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.605 0.717 . . . . 0.0 110.681 -173.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -91.83 115.07 27.75 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.521 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t -103.38 88.9 3.22 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1519 ' ' THR . . . . . 0.409 ' OG1' HD23 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.52 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 2.9 t-20 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.425 ' HD2' HD21 ' A' 1520 ' ' ASN . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.409 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.52 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.699 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.616 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.601 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.702 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.636 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.89 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.632 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.89 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.702 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.653 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.653 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' 1590 ' ' LEU . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.419 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.419 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p -46.41 151.36 1.0 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -68.7 90.92 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.765 2.31 . . . . 0.0 109.096 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.614 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 47.7 t -103.43 174.15 6.0 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.073 -173.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -82.44 -51.55 7.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 19.0 m -87.73 -24.21 23.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.537 0.684 . . . . 0.0 110.617 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 86.26 48.41 4.58 Favored Glycine 0 CA--C 1.505 -0.538 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.679 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' 1604 ' ' LEU . 0.9 OUTLIER -81.81 -94.82 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 -178.063 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.446 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.931 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.514 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.668 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.668 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.696 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.504 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.931 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.696 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.699 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 CA--C 1.507 -0.687 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.56 115.84 28.37 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.53 ' HB2' ' OE2' ' A' 1512 ' ' GLU . 19.7 m -105.74 -168.37 1.44 Allowed 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.5 m120 -135.14 31.24 3.25 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' 1510 ' ' SER . 0.0 OUTLIER -71.09 -9.82 58.7 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.41 -1.723 . . . . 0.0 114.057 -170.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 82.7 t60 78.97 53.98 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 122.546 1.165 . . . . 0.0 109.982 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -74.43 -69.29 0.46 Allowed 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.095 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.75 146.62 31.3 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 122.278 0.231 . . . . 0.0 110.739 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t -130.84 84.75 2.21 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.753 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1522 ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' 1520 ' ' ASN . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.753 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.404 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.486 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.599 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.478 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1554 ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' 1577 ' ' ALA . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.678 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.99 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1564 ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.486 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.599 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.756 HG12 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB1' ' H ' ' A' 1554 ' ' GLY . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.446 ' HD1' HD23 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.865 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.617 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p -52.17 127.42 37.9 Favored Pre-proline 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.7 121.38 7.88 Favored 'Trans proline' 0 N--CA 1.442 -1.519 0 C-N-CA 122.027 1.818 . . . . 0.0 108.527 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' 1631 ' ' LYS . 53.7 m -150.79 -167.93 2.96 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -52.07 64.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.407 0.442 . . . . 0.0 110.136 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.0 m -108.02 -27.28 10.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.108 0.956 . . . . 0.0 111.337 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.98 48.19 55.62 Favored Glycine 0 CA--C 1.49 -1.524 0 CA-C-N 114.006 -1.452 . . . . 0.0 112.994 172.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.502 ' H ' HD22 ' A' 1604 ' ' LEU . 2.1 mm? -67.49 -78.3 0.06 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.756 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.865 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1613 ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.522 HD21 HD23 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.522 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' 1600 ' ' SER . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.518 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.42 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1649 ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 64.7 mttm 51.76 54.9 10.15 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.472 0.709 . . . . 0.0 112.235 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 19.3 m -98.63 -11.17 22.34 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.616 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.66 -28.68 67.91 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.091 0.472 . . . . 0.0 110.255 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.41 -23.11 67.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.54 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.57 -4.72 37.17 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 120.9 0.381 . . . . 0.0 111.846 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.94 53.69 1.73 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.797 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -47.04 137.42 7.58 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.173 0.987 . . . . 0.0 112.89 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t -122.28 83.93 2.18 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.796 -176.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.651 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' SER . . . . . 0.411 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1545 ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.852 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.633 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.446 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.972 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.496 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.52 ' HD1' HD23 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.489 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t -41.64 120.9 2.17 Favored Pre-proline 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 25.0 Cg_exo -65.47 90.61 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.408 2.739 . . . . 0.0 110.562 177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.646 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 2.2 p -105.84 -176.18 3.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.377 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.466 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 1.2 tmmt? -62.81 -51.23 67.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.772 0.26 . . . . 0.0 110.509 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' 1604 ' ' LEU . 69.9 m -93.88 -0.57 55.63 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.4 48.98 27.66 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.965 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' 1602 ' ' SER . 1.6 mm? -80.71 -100.01 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 -176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.476 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.473 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.499 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.493 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.57 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.712 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.478 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.646 ' SG ' ' HB3' ' A' 1600 ' ' SER . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.852 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1644 ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 99.0 mttt 70.39 50.44 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 110.778 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' 1518 ' ' VAL . 50.9 m -154.42 -40.61 0.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -126.56 -2.82 6.73 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.29 -13.59 59.07 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -172.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' 1579 ' ' LYS . 38.2 m80 68.04 20.49 9.06 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.76 0.824 . . . . 0.0 110.876 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.17 -40.05 38.99 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.316 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -154.1 160.42 41.94 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t -73.92 76.57 1.66 Allowed 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.938 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.3 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' 1510 ' ' SER . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.608 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.664 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.639 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.041 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.041 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.661 ' HB2' HG22 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' 1513 ' ' HIS . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.444 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.43 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' 1590 ' ' LEU . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.444 HG22 ' HD2' ' A' 1593 ' ' LYS . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.444 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 28.9 p -33.39 122.01 0.46 Allowed Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 9.7 Cg_exo -74.29 102.68 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.43 2.087 . . . . 0.0 108.531 174.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 22.9 t -151.1 -165.19 2.19 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.372 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -51.2 -52.05 48.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 125.044 1.338 . . . . 0.0 111.192 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1602 ' ' SER . . . . . 0.634 ' HB2' HD21 ' A' 1604 ' ' LEU . 18.4 m -113.72 -16.46 12.3 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 119.965 -0.694 . . . . 0.0 112.46 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 65.64 48.56 66.43 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.621 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -77.92 -86.05 0.06 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.772 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.577 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.406 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.414 HG22 HG23 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.805 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.533 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.64 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.64 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.505 ' OD1' HG22 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.536 ' HA ' HD23 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.606 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.509 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1649 ' ' ALA . . . . . 0.85 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 84.4 mtp . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -118.59 -27.66 5.85 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 73.9 m 69.94 36.01 2.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.293 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -84.07 9.49 12.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.27 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -82.02 -1.97 50.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.292 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -127.08 133.88 50.36 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.007 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.32 7.16 12.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.95 113.83 25.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.655 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t -92.32 69.25 5.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.619 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 3.9 t-20 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.496 HD12 HD22 ' A' 1529 ' ' LEU . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.814 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.688 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.791 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.784 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.611 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.605 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.645 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.766 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.523 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.791 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD23 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.896 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1590 ' ' LEU . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.522 HG23 HG22 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.496 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 26.5 p -38.02 145.41 0.32 Allowed Pre-proline 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 5.7 Cg_exo -77.55 90.37 1.26 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 C-N-CA 122.509 2.139 . . . . 0.0 110.759 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' 1632 ' ' GLN . 16.5 p -123.91 -164.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' 1601 ' ' LYS . 37.4 ttpt -64.16 -52.5 58.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 t -103.03 -24.83 13.61 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.521 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 78.58 47.0 8.29 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.457 ' H ' HD22 ' A' 1604 ' ' LEU . 2.2 mm? -67.35 -85.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.97 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.483 ' HB2' HG11 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.522 HG22 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.896 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.814 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1625 ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' 1627 ' ' ILE . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.564 HD21 HD23 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' 1625 ' ' MET . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.564 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.63 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.755 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1632 ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' 1600 ' ' SER . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.427 HG22 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.97 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.784 ' HZ ' HG21 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.42 ' CZ2' HD22 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 65.2 24.25 12.31 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.888 0.743 . . . . 0.0 112.802 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 43.2 t 68.54 164.91 0.24 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.197 0.999 . . . . 0.0 112.501 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -11.76 4.78 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 172.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.85 -42.58 63.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.427 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.0 p80 -101.75 8.39 41.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.557 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 1.1 t70 -131.14 49.39 2.33 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -172.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.07 148.48 31.02 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t -74.48 74.38 1.94 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 -174.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.637 ' HB2' HD21 ' A' 1526 ' ' LEU . 12.4 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.637 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1528 ' ' ASP . . . . . 0.42 ' O ' HD13 ' A' 1644 ' ' LEU . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.608 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.875 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.629 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.721 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.708 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.478 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.608 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.672 HG12 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1594 ' ' ASP . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.501 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' 1514 ' ' ASP . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.551 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.904 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.436 HG23 HG22 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' 1576 ' ' LYS . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p -42.68 123.44 2.96 Favored Pre-proline 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.28 90.68 0.47 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.883 2.389 . . . . 0.0 111.204 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 p -126.48 -165.84 1.5 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.185 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -50.32 60.51 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.226 1.011 . . . . 0.0 110.718 -177.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.0 t -108.93 -33.8 6.82 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.82 46.49 7.77 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.455 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.503 ' H ' HD22 ' A' 1604 ' ' LEU . 1.8 mm? -67.26 -81.47 0.03 OUTLIER 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 -175.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.672 ' HB2' HG12 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.436 HG22 HG23 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1611 ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.904 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.401 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.5 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.637 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.637 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.449 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.875 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.472 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1644 ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' 1528 ' ' ASP . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1648 ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1508 ' ' MET . . . . . 0.423 ' HB3' ' HG ' ' A' 1526 ' ' LEU . 71.0 mtm . . . . . 0 C--O 1.241 0.633 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 94.6 mttt 74.82 178.5 0.21 Allowed 'General case' 0 C--O 1.251 1.163 0 C-N-CA 124.93 1.292 . . . . 0.0 111.642 175.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' 1512 ' ' GLU . 18.4 m 71.0 96.07 0.07 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 110.737 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.06 28.82 0.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' 1510 ' ' SER . 36.9 mt-10 -77.46 -26.63 51.59 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 174.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 45.5 m80 -75.32 126.97 32.1 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.9 t0 -87.15 52.28 2.47 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.65 1.214 . . . . 0.0 109.187 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -121.05 159.72 25.09 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t -77.3 82.68 3.77 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 -171.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.712 ' HB2' HD21 ' A' 1526 ' ' LEU . 2.9 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.403 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.714 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.714 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.714 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.479 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.428 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.543 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.607 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.873 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.586 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.739 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' 1535 ' ' ARG . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 66.5 t30 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.725 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.676 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.543 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 94.3 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.779 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.873 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.637 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.629 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.404 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 2.1 mp0 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.637 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.489 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.408 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p -50.27 121.68 14.03 Favored Pre-proline 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.28 113.88 2.43 Favored 'Trans proline' 0 C--O 1.244 0.814 0 C-N-CA 122.773 2.315 . . . . 0.0 109.738 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 18.6 m -138.34 -175.08 3.99 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -51.26 64.16 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.16 0.584 . . . . 0.0 110.058 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 42.4 t -98.7 -36.55 9.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.52 48.87 5.41 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.208 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' HD22 ' A' 1604 ' ' LEU . 2.1 mm? -68.6 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.779 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.489 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.855 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.714 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.598 HD21 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.598 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.467 ' OD2' HG22 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.746 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.467 HG22 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 C--O 1.246 0.908 0 CA-C-O 120.608 0.242 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.92 -40.17 96.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.061 0.458 . . . . 0.0 110.663 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.4 t -92.16 29.34 1.66 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.635 0.731 . . . . 0.0 109.383 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -124.52 -45.04 1.95 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.86 -57.85 6.96 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 57.1 m80 65.95 151.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.342 1.057 . . . . 0.0 112.334 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -112.61 39.6 2.45 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 172.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -142.98 160.18 40.84 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t -85.38 66.55 9.75 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.693 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.435 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.693 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.505 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.489 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.451 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.806 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.609 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.418 ' HB2' ' ND2' ' A' 1556 ' ' ASN . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.605 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.52 ' HB2' HG13 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.474 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.526 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.792 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.743 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' 1584 ' ' VAL . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.3 tp60 -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.493 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.48 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 28.4 p -45.13 145.55 1.72 Allowed Pre-proline 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 3.0 Cg_exo -76.7 90.23 1.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.56 0 C-N-CA 122.072 1.848 . . . . 0.0 109.711 175.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.52 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 5.3 p -107.38 173.96 6.09 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.638 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.93 -51.95 62.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.61 0.569 . . . . 0.0 111.185 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 67.0 m -96.85 -5.07 39.13 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.859 -0.737 . . . . 0.0 112.746 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.65 49.12 25.55 Favored Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.654 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' 1604 ' ' LEU . 1.4 mm? -78.23 -94.43 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.927 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.484 ' OG ' HG11 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.862 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.49 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.574 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.614 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.778 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.424 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.927 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1649 ' ' ALA . . . . . 0.435 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 CA--C 1.492 -1.257 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 55.24 50.81 14.27 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.883 0.739 . . . . 0.0 110.231 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.9 t -64.85 98.17 0.26 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.374 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' 1515 ' ' ASP . 64.1 t30 -135.04 36.82 3.03 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.778 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.46 -29.82 12.53 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.663 -0.648 . . . . 0.0 110.824 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.5 t60 -75.52 -48.88 20.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.07 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.11 50.87 0.83 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.157 0.98 . . . . 0.0 109.348 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1515 ' ' ASP . . . . . 0.648 ' HB2' ' O ' ' A' 1511 ' ' ASN . 31.2 t70 -108.21 158.31 17.56 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.883 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.566 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 2.9 t-20 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.484 ' HD2' HD21 ' A' 1520 ' ' ASN . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.54 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.763 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.859 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.667 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.622 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.585 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.718 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.713 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.622 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1564 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.683 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.485 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.763 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.524 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 96.1 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.686 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1577 ' ' ALA . . . . . 0.429 ' HB2' ' HA2' ' A' 1564 ' ' GLY . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.427 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p -50.94 135.31 28.28 Favored Pre-proline 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.27 89.35 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 121.889 1.726 . . . . 0.0 111.773 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' 1634 ' ' CYS . 4.2 m -85.73 179.08 7.14 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.001 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 1.1 tmmt? -59.67 -51.35 70.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 68.5 m -96.19 3.16 53.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.305 0.574 . . . . 0.0 111.882 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.23 49.6 51.37 Favored Glycine 0 CA--C 1.498 -1.022 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.59 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' 1604 ' ' LEU . 1.3 mm? -80.53 -101.57 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.362 -175.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.686 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.939 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.567 HD21 HD23 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' 1639 ' ' SER . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.567 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.56 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.732 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.554 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.414 ' HB2' ' OG ' ' A' 1600 ' ' SER . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.56 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.859 ' HZ ' HG21 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' 1627 ' ' ILE . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.419 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1642 ' ' THR . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.427 ' OE1' ' HG3' ' A' 1586 ' ' GLN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.51 -0.559 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.65 105.1 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 11.9 t -128.92 141.64 51.21 Favored 'General case' 0 N--CA 1.425 -1.705 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.03 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -128.35 28.14 5.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -94.92 -16.67 22.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.795 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 51.6 t60 -99.47 2.62 45.16 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' 1579 ' ' LYS . 1.7 m-20 -98.91 43.32 1.06 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.418 -176.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.81 133.22 33.92 Favored 'General case' 0 CA--C 1.493 -1.224 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m -85.91 73.31 10.35 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' 1526 ' ' LEU . 14.2 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.687 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.439 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.473 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.597 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.561 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.71 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.561 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.648 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1567 ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1514 ' ' ASP . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.576 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.836 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 16.5 p -38.81 141.17 0.61 Allowed Pre-proline 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.9 Cg_endo -80.08 95.37 1.01 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.441 2.761 . . . . 0.0 110.672 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 12.8 m -124.45 -172.71 2.61 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.962 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.33 -48.0 83.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 21.7 t -105.2 -32.41 8.67 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.49 0.662 . . . . 0.0 109.954 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.03 49.12 6.14 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.529 -0.76 . . . . 0.0 114.028 172.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.438 ' H ' HD22 ' A' 1604 ' ' LEU . 2.2 mm? -72.07 -87.96 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.998 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1611 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.836 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.657 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.657 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1630 ' ' ASP . . . . . 0.553 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.604 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.998 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.553 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.502 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.187 0.994 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . 0.407 ' OG1' HD23 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.525 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 32.9 t30 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.415 ' H ' ' ND2' ' A' 1520 ' ' ASN . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.407 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.491 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.646 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.776 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.865 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.756 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.614 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' 1562 ' ' GLY . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.559 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.707 ' HB2' HG11 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.533 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.546 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.495 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.865 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.651 ' HD1' HD23 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.816 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' 1608 ' ' SER . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.855 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.437 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.855 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.708 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.816 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' 1615 ' ' ARG . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.472 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.692 HD21 HD23 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.435 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.756 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . 0.465 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t . . . . . 0 N--CA 1.437 -1.09 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.681 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.606 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.606 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.435 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.617 HG21 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.548 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.523 ' HB3' HG13 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.999 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.548 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.465 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.41 ' HB2' ' H ' ' A' 1605 ' ' SER . 1.1 mm? . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.41 ' H ' ' HB2' ' A' 1604 ' ' LEU . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.528 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.83 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.63 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.551 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.66 HD21 HD23 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.66 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.761 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.673 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.476 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.528 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.761 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.617 ' HZ ' HG21 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.63 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.621 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' 1517 ' ' GLN . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.658 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.854 HG21 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.613 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.684 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.454 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.684 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.001 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.658 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.741 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.769 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.485 HG23 HG22 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? . . . . . 0 C--O 1.239 0.543 0 CA-C-O 120.966 0.412 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.611 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.741 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.485 HG22 HG23 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.769 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.415 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.703 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG21 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' 1622 ' ' ASN . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.833 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.248 0.997 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.759 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.759 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.674 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.627 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.627 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.634 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.437 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t . . . . . 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 N--CA 1.446 -0.636 0 CA-C-O 121.084 0.469 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.583 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.447 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1588 ' ' LEU . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.813 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.921 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.576 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.674 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.597 HD21 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.597 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.575 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.427 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.453 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.583 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.593 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.575 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 51.6 m80 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.921 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.241 0.657 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.467 HG13 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.748 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 56.4 t30 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.464 HG21 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.748 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.479 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.819 HG21 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.58 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.588 ' HB3' HG13 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.059 ' HB2' HG11 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.059 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.479 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.42 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 22.6 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . 0.499 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.486 ' HG2' ' HA ' ' A' 1553 ' ' CYS . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.499 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.874 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.912 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.558 HD21 HD23 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.558 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.735 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.874 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.545 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.819 ' HZ ' HG21 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 1642 ' ' THR . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.707 ' HB3' HD13 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.484 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 44.3 t30 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.489 ' HD2' HG13 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.503 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.558 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.821 HG21 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.554 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.554 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.674 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.661 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.85 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.545 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.503 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.558 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1590 ' ' LEU . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' 1593 ' ' LYS . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.619 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.619 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.516 ' HB3' HG12 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.457 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.705 HD21 HD23 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.705 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.506 ' OD1' HG22 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.625 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.615 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.432 HG23 ' HG3' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.821 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 31.1 m170 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.669 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.6 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.772 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.772 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.703 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.583 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.776 HG21 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.572 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.685 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . 0.442 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.958 ' HB2' HG11 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.619 ' HB2' HG22 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.583 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.641 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.915 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.52 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.529 ' HB2' HG11 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.6 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.6 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.409 HD21 HD23 ' A' 1629 ' ' LEU . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.555 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.726 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.609 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.726 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG21 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.542 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.457 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m . . . . . 0 C--O 1.25 1.109 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . 0.423 ' HB3' HD21 ' A' 1520 ' ' ASN . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.61 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' A' 1542 ' ' TYR . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.86 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.461 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.625 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.668 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.641 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.954 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.44 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.668 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.554 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.601 ' HB2' ' SG ' ' A' 1516 ' ' CYS 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.456 HG23 HG22 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.484 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.566 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.453 ' HB3' HG11 ' A' 1574 ' ' VAL . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.456 HG22 HG23 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.574 HD21 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.574 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.636 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.566 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.636 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.513 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.406 ' HA ' HD23 ' A' 1581 ' ' LEU . 3.7 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.7 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.7 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.438 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.707 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.627 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.594 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.637 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.43 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.959 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.637 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.959 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.514 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.53 ' HB2' HG22 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.707 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.528 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.402 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.464 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' 1590 ' ' LEU . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.4 ' HB2' ' H ' ' A' 1605 ' ' SER . 1.8 mm? . . . . . 0 N--CA 1.437 -1.122 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.529 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.81 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.52 HD21 HD23 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.523 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.528 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.678 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.529 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.627 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t . . . . . 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.651 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.855 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.855 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.574 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.737 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.615 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.551 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.737 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.884 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.414 ' HB3' HG12 ' A' 1548 ' ' VAL . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.612 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.689 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . 0.462 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.058 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.058 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.542 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.551 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.595 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.883 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.883 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.608 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.662 HD21 HD23 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.662 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.596 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.854 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.51 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.608 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.596 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.884 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.401 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 31.7 m170 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.481 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.249 1.03 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . 0.409 ' OG1' HD23 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' 1647 ' ' GLU . 27.9 t30 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.409 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.52 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.699 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.616 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.601 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.702 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.636 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.89 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.632 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.89 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.702 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.653 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.653 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' 1590 ' ' LEU . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.419 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.419 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.446 ' HB2' ' H ' ' A' 1605 ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.446 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.931 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.514 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.668 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.668 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.696 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.504 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.931 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.696 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.699 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.522 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.753 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' 1520 ' ' ASN . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.753 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.404 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.486 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.599 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.478 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' 1577 ' ' ALA . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.678 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.99 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.486 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.599 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.756 HG12 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB1' ' H ' ' A' 1554 ' ' GLY . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.446 ' HD1' HD23 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.865 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.617 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p . . . . . 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' 1633 ' ' THR . 2.1 mm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.756 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.865 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.522 HD21 HD23 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.522 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.518 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.42 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t . . . . . 0 N--CA 1.419 -1.996 0 CA-C-O 121.882 0.849 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.651 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . 0.411 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.852 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.633 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.446 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.972 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.496 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.52 ' HD1' HD23 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.489 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.476 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.473 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.499 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.493 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.57 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.712 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.478 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.482 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.852 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.938 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.3 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.462 HG13 ' HD2' ' A' 1527 ' ' PHE . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.608 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.664 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.639 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.041 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.041 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.661 ' HB2' HG22 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.444 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.43 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' 1590 ' ' LEU . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.444 HG22 ' HD2' ' A' 1593 ' ' LYS . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.444 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' 1633 ' ' THR . 1.1 mm? . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.772 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.577 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.406 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.414 HG22 HG23 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.805 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.533 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.64 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.64 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.505 ' OD1' HG22 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.536 ' HA ' HD23 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.606 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.509 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . 0.85 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.619 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 50.2 t30 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.496 HD12 HD22 ' A' 1529 ' ' LEU . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.814 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.688 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.791 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.784 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.611 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.605 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.645 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.766 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.523 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.791 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD23 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.896 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1590 ' ' LEU . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.522 HG23 HG22 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.97 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.483 ' HB2' HG11 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.522 HG22 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.896 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.814 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' 1627 ' ' ILE . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.564 HD21 HD23 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' 1625 ' ' MET . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.564 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.63 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.755 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.427 HG22 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.97 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.784 ' HZ ' HG21 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.42 ' CZ2' HD22 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.637 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.637 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . 0.42 ' O ' HD13 ' A' 1644 ' ' LEU . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.608 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.875 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.629 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.721 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.708 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.478 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.608 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.672 HG12 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1594 ' ' ASP . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.501 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.551 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.904 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.436 HG23 HG22 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' 1576 ' ' LYS . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.672 ' HB2' HG12 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.436 HG22 HG23 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.904 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.401 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.5 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.637 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.637 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.449 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.875 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.472 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' 1528 ' ' ASP . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t . . . . . 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.712 ' HB2' HD21 ' A' 1526 ' ' LEU . 2.9 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.403 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.714 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.714 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.714 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.479 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.428 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.543 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.607 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.873 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.586 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.739 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' 1535 ' ' ARG . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.725 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.676 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.543 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 26.0 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.779 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.873 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.637 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.629 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.693 HE21 ' N ' ' A' 1586 ' ' GLN . 0.0 OUTLIER 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.637 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.489 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.408 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p . . . . . 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.779 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.489 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.855 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.714 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.598 HD21 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.598 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.467 ' OD2' HG22 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.746 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.467 HG22 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.416 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 55.3 m170 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.44 -0.959 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.693 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.435 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.693 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.505 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.489 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.451 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.806 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.609 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.418 ' HB2' ' ND2' ' A' 1556 ' ' ASN . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.605 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.52 ' HB2' HG13 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.474 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.526 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.792 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.743 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' 1584 ' ' VAL . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 0.0 OUTLIER -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.493 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.48 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.238 0.476 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.927 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.484 ' OG ' HG11 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.862 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.49 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.574 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.614 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.778 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.424 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.927 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . 0.435 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.432 -1.356 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.566 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 35.5 t30 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . 0.432 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . 0.441 ' H ' ' ND2' ' A' 1520 ' ' ASN . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.54 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . 0.763 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.859 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.667 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.622 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.585 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.718 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.713 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.622 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.683 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.485 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . 0.763 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.524 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 24.0 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.686 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . 0.429 ' HB2' ' HA2' ' A' 1564 ' ' GLY . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.427 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' 1604 ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.482 0.182 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.686 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.939 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.567 HD21 HD23 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' 1639 ' ' SER . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.567 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.56 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.732 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.554 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.56 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.859 ' HZ ' HG21 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' 1627 ' ' ILE . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.419 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1642 ' ' THR . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.482 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.493 -1.215 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' 1526 ' ' LEU . 3.8 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.687 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.439 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.473 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.597 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.561 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.71 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.561 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.648 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.576 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.836 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.998 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.836 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1618 ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1621 ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1622 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.657 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.657 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . 0.553 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.604 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.998 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.553 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.502 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1647 ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 50.1 mmtm 61.3 28.47 17.97 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 112.397 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.2 m -106.0 110.83 23.24 Favored 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -68.88 -8.16 41.46 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.587 ' HA ' ' HB2' ' A' 1580 ' ' ARG . 42.8 mt-10 -89.7 6.54 41.0 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.144 -1.022 . . . . 0.0 111.367 177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.436 ' O ' ' HD2' ' A' 1579 ' ' LYS . 32.1 p80 -161.47 -22.01 0.05 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -90.23 -69.69 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 118.836 0.744 . . . . 0.0 112.754 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.14 155.06 40.51 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.435 0.636 . . . . 0.0 111.775 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 p -121.8 70.46 0.95 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.384 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.04 141.13 34.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.6 p -134.72 146.29 31.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . 0.407 ' OG1' HD23 ' A' 1526 ' ' LEU . 37.6 m -107.87 135.46 49.23 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.024 -0.422 . . . . 0.0 111.556 -175.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.525 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 32.9 t30 -75.51 113.67 28.59 Favored Pre-proline 0 C--N 1.317 -0.834 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -68.87 -10.96 30.6 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.291 1.994 . . . . 0.0 112.997 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -83.97 -55.5 4.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.737 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.415 ' H ' ' ND2' ' A' 1520 ' ' ASN . 81.3 p -96.4 -19.45 19.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.488 . . . . 0.0 111.508 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.06 10.72 71.21 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.935 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -77.99 118.67 20.5 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.977 0.418 . . . . 0.0 110.564 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.407 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -81.36 127.07 32.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 44.2 m-85 -103.34 106.4 16.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -106.78 116.6 32.21 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.45 24.21 9.98 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.591 -0.444 . . . . 0.0 112.134 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.7 t -69.96 -14.72 62.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.597 0.713 . . . . 0.0 109.862 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.1 m -64.35 -35.41 80.79 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.599 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.8 mt -92.08 13.52 18.63 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.17 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' 1552 ' ' ILE . 57.5 m -76.76 35.0 0.15 Allowed 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.05 83.78 0.17 Allowed Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.491 ' NH1' ' HG2' ' A' 1555 ' ' GLU . 13.5 ptp180 -65.78 -9.66 30.39 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.611 0.764 . . . . 0.0 112.838 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.97 65.82 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.069 0.461 . . . . 0.0 111.258 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.21 100.38 2.61 Favored Glycine 0 N--CA 1.431 -1.645 0 C-N-CA 120.43 -0.891 . . . . 0.0 114.768 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -71.12 131.16 43.17 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.8 m -102.51 109.3 20.89 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 120.281 -0.568 . . . . 0.0 111.781 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.646 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -104.21 98.75 8.51 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.776 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.28 153.28 44.06 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.698 0.761 . . . . 0.0 112.909 -173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -111.33 -43.59 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -150.72 159.12 44.74 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -55.97 113.3 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.386 0.612 . . . . 0.0 111.799 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 112.65 -30.03 7.78 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.72 -1.127 . . . . 0.0 112.107 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.865 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 9.0 p-90 -136.77 119.59 16.25 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.506 1.146 . . . . 0.0 113.289 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.81 -157.71 7.77 Favored Glycine 0 N--CA 1.414 -2.815 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.178 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.756 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.5 t -109.28 124.02 65.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 C-N-CA 123.961 0.905 . . . . 0.0 110.363 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.4 m-85 -99.98 99.22 9.94 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.3 ptp -118.9 150.53 39.73 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.581 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.425 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 30.7 t -120.77 137.05 54.71 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.614 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -93.31 97.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.7 t 65.54 92.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 122.184 0.993 . . . . 0.0 110.492 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.64 116.39 1.12 Allowed Glycine 0 N--CA 1.415 -2.733 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 -175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' 1562 ' ' GLY . 1.8 pm0 -55.41 118.01 4.06 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.355 0.598 . . . . 0.0 112.587 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.559 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.8 t-20 -59.56 116.72 4.2 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 125.427 1.491 . . . . 0.0 111.354 -175.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.72 -6.91 59.38 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.641 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.23 -35.33 41.74 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.707 ' HB2' HG11 ' A' 1563 ' ' VAL . 63.7 m -104.3 -176.36 0.43 Allowed Pre-proline 0 C--N 1.295 -1.782 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 74.7 Cg_exo -55.02 127.7 27.43 Favored 'Trans proline' 0 C--N 1.365 1.412 0 CA-C-N 120.973 1.383 . . . . 0.0 110.237 172.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.3 Cg_exo -55.82 128.44 30.29 Favored 'Trans proline' 0 C--O 1.239 0.554 0 C-N-CA 122.903 2.402 . . . . 0.0 111.78 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.533 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 124.7 -24.78 6.02 Favored Glycine 0 C--N 1.294 -1.758 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.5 p -77.84 149.62 5.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.28 -36.05 3.98 Favored Glycine 0 CA--C 1.5 -0.906 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.988 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.25 146.12 30.64 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' 1548 ' ' VAL . 60.4 m -125.05 139.53 53.72 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.546 ' O ' ' HB ' ' A' 1572 ' ' ILE . 17.1 t80 -122.08 140.98 51.87 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.495 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 83.09 179.36 52.58 Favored Glycine 0 N--CA 1.43 -1.762 0 C-N-CA 119.754 -1.213 . . . . 0.0 112.387 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.865 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 27.2 mt-30 -90.23 -18.99 24.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 58.3 p -83.99 -83.56 0.15 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -168.28 32.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.392 0.615 . . . . 0.0 110.02 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' 1567 ' ' PHE . 64.0 mt -73.15 121.39 23.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.7 m -92.79 130.69 38.32 Favored 'General case' 0 N--CA 1.418 -2.052 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.713 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.6 t -104.72 31.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-O 122.459 1.123 . . . . 0.0 108.081 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 118.6 157.81 10.59 Favored Glycine 0 N--CA 1.421 -2.338 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.121 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 50.0 tptt -74.32 146.21 43.28 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 125.274 1.43 . . . . 0.0 107.216 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.4 98.58 1.44 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.189 0.518 . . . . 0.0 111.497 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.11 153.83 21.22 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1513 ' ' HIS . 62.9 mttm -116.04 9.24 14.76 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.742 0.782 . . . . 0.0 109.075 175.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' 1512 ' ' GLU . 22.2 tpt180 -84.14 84.14 7.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.677 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.0 tp -73.66 126.36 30.14 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.067 175.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -116.14 161.28 19.16 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.651 ' HD1' HD23 ' A' 1588 ' ' LEU . 46.3 t80 -126.61 105.93 9.06 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.39 141.4 41.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 52.03 41.42 29.8 Favored 'General case' 0 C--O 1.249 1.048 0 C-N-CA 123.754 0.822 . . . . 0.0 111.58 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 60.17 23.63 12.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.03 1.332 . . . . 0.0 113.114 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 158.24 42.35 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.816 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 78.9 mt -90.6 135.26 33.82 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -129.27 127.61 41.53 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 119.951 -0.7 . . . . 0.0 112.059 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -120.32 118.92 31.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.949 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' 1608 ' ' SER . 8.1 p -113.7 118.21 57.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-O 121.585 0.707 . . . . 0.0 110.781 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1607 ' ' LYS . 22.5 m-85 -101.54 100.87 11.35 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.48 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -99.86 173.42 6.69 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.886 0.374 . . . . 0.0 110.605 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 15.4 t70 59.35 71.24 0.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 125.495 1.518 . . . . 0.0 112.598 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -125.12 -73.18 0.22 Allowed Glycine 0 C--N 1.306 -1.085 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.381 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.855 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 45.2 t -101.53 121.56 50.99 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1596 ' ' SER . 6.3 Cg_exo -79.69 47.75 2.62 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.452 3.435 . . . . 0.0 112.171 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 17.1 p -41.7 122.22 2.32 Favored Pre-proline 0 C--N 1.317 -0.81 0 C-N-CA 125.981 1.712 . . . . 0.0 114.571 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -75.16 102.08 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.213 1.942 . . . . 0.0 107.851 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.5 t -141.46 -164.54 1.79 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.667 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -51.67 66.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.547 0.739 . . . . 0.0 109.021 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -103.2 -37.28 7.77 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 172.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 61.43 49.83 73.13 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.33 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.687 ' H ' HD22 ' A' 1604 ' ' LEU . 0.7 OUTLIER -71.08 -80.14 0.06 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -178.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' 1604 ' ' LEU . 75.5 p -167.93 157.52 9.93 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.855 ' HB2' ' HB3' ' A' 1596 ' ' SER . 0.3 OUTLIER -69.74 49.32 0.09 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.346 1.058 . . . . 0.0 113.349 177.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' 1592 ' ' TYR . 55.2 pttt -64.33 140.2 58.84 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 122.077 0.941 . . . . 0.0 113.452 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.708 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.3 t -103.74 130.68 51.29 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -111.89 107.96 24.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.9 mt -96.58 116.28 38.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.9 m -106.95 114.05 27.9 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.816 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.5 m-85 -90.44 117.94 29.53 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.362 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.4 t -110.77 135.04 51.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-N 115.487 -0.779 . . . . 0.0 108.993 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 10.0 t -57.79 131.7 51.11 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.511 0.724 . . . . 0.0 111.194 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' 1615 ' ' ARG . 2.3 tpm_? -163.64 100.98 0.95 Allowed Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.472 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 24.1 Cg_endo -63.05 -21.73 73.13 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 C-N-CA 122.822 2.348 . . . . 0.0 112.8 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.17 18.06 12.99 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.59 0.71 . . . . 0.0 111.028 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -93.73 42.17 1.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.508 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.05 -71.97 0.93 Allowed Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -79.61 -15.83 12.07 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.278 1.986 . . . . 0.0 112.388 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.11 21.76 10.37 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.018 0.913 . . . . 0.0 110.942 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.5 t-20 -83.14 71.48 10.17 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.695 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -142.81 151.95 57.95 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.646 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.5 Cg_endo -81.35 133.52 8.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.265 1.977 . . . . 0.0 110.97 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 49.3 ttp -121.13 129.32 53.23 Favored 'General case' 0 C--N 1.289 -2.062 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.16 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.692 HD21 HD23 ' A' 1629 ' ' LEU . 57.2 tp -74.45 113.68 11.96 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 121.376 0.608 . . . . 0.0 109.465 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.0 -52.96 13.35 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.226 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 155.98 38.71 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.692 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.81 104.65 9.42 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.435 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 9.7 t70 -92.54 111.07 22.52 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.48 -16.18 57.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.78 -175.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -81.07 -44.98 17.19 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.295 0.569 . . . . 0.0 111.089 -173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.2 t -100.5 7.16 44.31 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.81 176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 86.3 m 52.51 47.63 24.29 Favored 'General case' 0 C--O 1.21 -0.998 0 C-N-CA 124.783 1.233 . . . . 0.0 111.447 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.8 m -118.06 124.3 47.75 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 121.322 0.582 . . . . 0.0 111.841 -174.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.6 mp -92.91 112.36 24.29 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 93.7 m-85 -90.6 113.52 25.57 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.076 -177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.756 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.1 m-85 -112.89 143.18 44.6 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.258 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.3 t -121.28 127.92 51.84 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -117.9 120.25 37.3 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 40.4 m170 -82.07 115.39 21.18 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.497 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.5 t -142.39 138.15 16.2 Favored Pre-proline 0 C--N 1.293 -1.864 0 CA-C-O 121.277 0.561 . . . . 0.0 111.318 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1642 ' ' THR . 2.7 Cg_exo -76.14 -12.37 19.34 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.232 2.622 . . . . 0.0 111.055 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . 0.465 ' O ' ' HD1' ' A' 1527 ' ' PHE . 83.9 mt -74.49 -24.87 59.08 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.438 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -85.74 5.11 33.79 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.183 0.515 . . . . 0.0 111.313 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.5 m -79.16 129.05 34.06 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.511 0.672 . . . . 0.0 110.747 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -89.44 76.97 7.4 Favored 'General case' 0 N--CA 1.413 -2.286 0 CA-C-O 123.006 1.384 . . . . 0.0 110.062 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 94.1 mt -93.74 158.32 15.73 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.382 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 176.341 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.491 0.186 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.1 mttm 67.32 30.01 7.25 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.035 0.934 . . . . 0.0 112.0 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.0 p -94.73 -1.92 52.07 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.822 1.296 . . . . 0.0 108.319 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 16.4 m120 -126.13 37.39 4.34 Favored 'General case' 0 C--O 1.204 -1.309 0 CA-C-N 113.176 -1.829 . . . . 0.0 106.532 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -21.69 1.25 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -174.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -127.7 14.48 6.98 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 122.07 0.938 . . . . 0.0 108.829 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1579 ' ' LYS . 36.7 t70 -138.11 38.14 2.33 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -110.52 160.24 16.81 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 6.6 t -78.48 74.96 5.01 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.488 0.661 . . . . 0.0 111.943 -169.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.681 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -160.28 141.35 12.16 Favored 'General case' 0 N--CA 1.414 -2.231 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.16 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.7 p -138.38 149.1 24.32 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.8 m -113.56 139.58 48.87 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.606 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -94.47 106.62 24.71 Favored Pre-proline 0 C--N 1.309 -1.184 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 174.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.97 -12.33 31.56 Favored 'Trans proline' 0 N--CA 1.48 0.688 0 C-N-CA 122.915 2.41 . . . . 0.0 113.114 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.5 t -80.17 -56.17 4.41 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.893 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.1 p -93.56 -14.53 26.44 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.269 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.87 18.6 76.8 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -91.78 131.61 37.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.694 0.283 . . . . 0.0 110.918 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.63 127.83 37.23 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.606 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 85.9 m-85 -98.6 109.37 22.14 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -109.19 116.49 32.02 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.63 24.08 11.7 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 32.6 m -69.9 -17.24 63.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.64 -19.82 60.74 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.516 0.674 . . . . 0.0 109.601 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.25 6.62 47.42 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 51.0 m -80.76 33.3 0.32 Allowed 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 122.984 0.513 . . . . 0.0 112.026 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.75 100.0 0.8 Allowed Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -57.95 -21.6 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 124.44 1.096 . . . . 0.0 113.605 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.1 76.1 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.21 0.529 . . . . 0.0 111.251 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.61 100.58 2.65 Favored Glycine 0 N--CA 1.421 -2.322 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.86 127.32 30.83 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.9 m -102.08 107.1 18.1 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.792 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.07 90.41 8.11 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 175.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.65 102.65 15.39 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.638 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 6.2 p90 -86.62 -21.15 26.95 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.32 138.79 45.22 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -69.72 118.64 12.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.665 0.603 . . . . 0.0 110.786 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.09 -29.75 6.92 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.097 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.435 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.0 OUTLIER -145.73 107.86 4.37 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 122.278 1.037 . . . . 0.0 111.86 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -125.33 179.8 16.04 Favored Glycine 0 N--CA 1.418 -2.533 0 CA-C-N 114.339 -1.3 . . . . 0.0 110.829 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.617 HG21 ' HZ ' ' A' 1638 ' ' PHE . 53.4 t -100.79 118.93 48.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 C-N-CA 122.405 0.282 . . . . 0.0 111.418 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 33.4 m-85 -93.77 97.61 10.54 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -116.15 143.33 45.64 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 42.3 t -114.76 128.47 56.32 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.0 mm -84.33 104.47 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -176.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.487 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 34.2 m 58.68 88.57 0.06 Allowed 'General case' 0 C--O 1.236 0.37 0 O-C-N 124.554 1.159 . . . . 0.0 110.579 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.14 116.79 1.18 Allowed Glycine 0 CA--C 1.485 -1.801 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.548 ' HB2' ' H ' ' A' 1562 ' ' GLY 0.254 0.3 OUTLIER -49.26 130.62 19.55 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.904 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.523 ' HB3' HG13 ' A' 1563 ' ' VAL . 19.1 t-20 -77.77 134.07 38.13 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 113.835 -1.53 . . . . 0.0 111.997 -176.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -85.09 -13.41 50.4 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -67.51 -34.4 77.04 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.478 0.656 . . . . 0.0 109.83 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.999 ' HB2' HG11 ' A' 1563 ' ' VAL . 66.4 m -117.22 168.3 9.27 Favored Pre-proline 0 C--N 1.292 -1.912 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 47.7 Cg_exo -48.56 139.3 23.65 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 123.106 2.537 . . . . 0.0 112.546 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 78.3 Cg_exo -52.4 135.59 54.58 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.253 3.302 . . . . 0.0 113.374 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.548 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.25 -34.48 3.66 Favored Glycine 0 N--CA 1.43 -1.75 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -73.96 149.85 7.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.166 -0.517 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.14 -28.15 2.94 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.08 135.1 32.24 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 71.6 m -116.52 155.31 28.88 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.465 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 3.4 t80 -144.14 147.25 33.44 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 80.88 178.77 52.6 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.021 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -91.14 -19.58 22.94 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 120.636 0.255 . . . . 0.0 110.718 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.1 p -86.19 -83.83 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' 1571 ' ' ARG . 71.6 ttt180 -169.43 34.8 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.489 0.661 . . . . 0.0 110.095 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' 1567 ' ' PHE . 59.1 mt -70.3 93.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.365 -0.934 . . . . 0.0 108.513 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.8 m -72.25 126.93 31.03 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -91.8 -28.44 4.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-O 121.925 0.869 . . . . 0.0 108.914 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.43 161.8 25.53 Favored Glycine 0 N--CA 1.424 -2.145 0 C-N-CA 119.963 -1.113 . . . . 0.0 111.616 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 94.3 mttt -79.37 158.66 27.38 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.45 82.93 2.52 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.084 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.38 144.29 40.15 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' 1514 ' ' ASP . 46.5 mttp -118.95 6.29 11.38 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -79.13 79.54 5.53 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.507 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -69.83 127.12 31.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.914 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -119.16 161.38 20.43 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.425 ' HD1' HD23 ' A' 1588 ' ' LEU . 82.5 t80 -122.62 107.87 12.46 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -136.96 148.06 26.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.5 41.7 28.74 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.503 1.121 . . . . 0.0 111.731 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 62.74 22.89 13.64 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.686 1.594 . . . . 0.0 112.641 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' 1612 ' ' PHE . 35.6 m -139.93 169.16 16.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 58.3 mt -94.65 139.48 31.16 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.4 tt0 -132.57 130.81 40.79 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.471 0.653 . . . . 0.0 112.464 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.3 mt -122.73 136.81 54.99 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.75 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.9 p -126.13 121.62 59.73 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.364 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.13 104.91 14.74 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.497 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -105.62 178.65 4.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 57.42 41.12 26.73 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -92.17 -72.57 1.22 Allowed Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 118.552 -1.785 . . . . 0.0 109.483 173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 38.1 t -114.65 137.15 22.58 Favored Pre-proline 0 C--N 1.294 -1.815 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 175.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.0 Cg_endo -79.62 48.32 2.81 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.673 2.915 . . . . 0.0 112.393 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 44.2 t -42.5 128.26 2.94 Favored Pre-proline 0 C--O 1.251 1.172 0 C-N-CA 125.483 1.513 . . . . 0.0 112.209 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.05 100.55 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.992 2.461 . . . . 0.0 110.064 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.55 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 7.2 p -114.44 -179.24 3.58 Favored 'General case' 0 N--CA 1.414 -2.243 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -50.34 15.6 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.052 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.619 ' HB2' HD21 ' A' 1604 ' ' LEU . 12.9 m -84.21 -15.51 46.7 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 85.95 49.29 4.33 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.57 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.619 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -89.53 -102.15 0.09 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 117.152 0.476 . . . . 0.0 111.57 -175.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.41 ' H ' ' HB2' ' A' 1604 ' ' LEU . 15.3 m -166.36 173.52 9.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 104.435 -2.431 . . . . 0.0 104.435 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.528 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.6 t80 -86.67 47.47 1.49 Allowed 'General case' 0 C--O 1.207 -1.178 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' 1635 ' ' THR . 64.9 pttt -67.82 154.16 42.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.467 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 35.5 t -114.09 135.6 53.84 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.507 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -115.33 119.73 62.66 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.3 mt -105.61 119.3 54.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.6 p -107.75 113.37 26.58 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.091 0.472 . . . . 0.0 110.384 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.83 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.4 m-85 -90.92 114.28 26.71 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 134.87 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.505 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.2 t -57.51 124.97 20.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.938 0.895 . . . . 0.0 112.228 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -155.52 96.48 2.42 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.63 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 31.6 Cg_exo -60.97 -18.82 59.8 Favored 'Trans proline' 0 N--CA 1.482 0.81 0 C-N-CA 123.374 2.716 . . . . 0.0 113.425 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.29 0.26 57.55 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.806 0.336 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.551 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -82.81 42.29 0.78 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.63 -69.77 1.33 Allowed Glycine 0 C--N 1.308 -0.975 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -79.7 -15.99 11.87 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.769 1.646 . . . . 0.0 111.464 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.2 p -99.82 24.62 8.17 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.382 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -79.49 74.71 6.13 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.84 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -135.29 150.74 73.45 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.19 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 58.1 Cg_endo -84.5 154.35 12.11 Favored 'Trans proline' 0 C--O 1.243 0.774 0 C-N-CA 122.467 2.111 . . . . 0.0 111.25 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 46.3 ttp -145.68 130.43 18.06 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.66 HD21 HD23 ' A' 1629 ' ' LEU . 52.0 tp -79.8 119.98 23.44 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 -52.31 10.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.221 -174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 11.1 t -146.67 149.09 32.78 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.66 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -116.12 101.2 8.51 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.761 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -83.93 102.54 12.5 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.673 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.16 -9.7 59.63 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -175.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.05 -46.13 14.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.849 0.357 . . . . 0.0 111.382 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.476 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.3 t -103.6 6.79 37.44 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.528 0.68 . . . . 0.0 109.674 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' 1600 ' ' SER . 71.0 m 53.41 55.87 8.12 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.648 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LYS . 89.9 m -120.33 125.73 48.77 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 121.393 0.616 . . . . 0.0 111.714 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -91.96 116.08 28.62 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.552 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.761 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 98.3 m-85 -93.85 114.74 27.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 120.588 0.232 . . . . 0.0 110.605 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.617 ' HZ ' HG21 ' A' 1548 ' ' VAL . 62.6 m-85 -112.61 142.96 44.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.204 0.526 . . . . 0.0 111.601 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 14.4 t -119.88 129.21 54.27 Favored 'General case' 0 N--CA 1.406 -2.641 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.463 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.3 t90 -122.83 107.65 12.11 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -86.44 114.65 23.38 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 8.4 t -143.02 146.61 37.82 Favored Pre-proline 0 C--N 1.299 -1.622 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.063 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.63 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.6 Cg_exo -73.84 -12.9 24.22 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.013 2.476 . . . . 0.0 111.221 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 49.7 mt -79.62 -3.54 47.58 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -104.22 10.61 35.63 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.321 0.581 . . . . 0.0 109.59 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.2 m -89.36 125.33 35.09 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.487 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.74 77.48 9.48 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 122.783 1.278 . . . . 0.0 109.755 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.78 164.79 15.76 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.702 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.721 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 CA--C 1.495 -1.144 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 56.64 69.42 0.74 Allowed 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 124.029 0.831 . . . . 0.0 110.128 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 m -60.05 -33.91 72.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.866 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.663 ' HA ' ' HB2' ' A' 1515 ' ' ASP . 27.8 p-10 -60.91 -24.21 65.83 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.25 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.02 22.9 7.25 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' 1579 ' ' LYS . 56.6 t-80 -126.07 -49.49 1.58 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.213 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 6.6 m-20 -112.93 -17.35 12.5 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.73 0.776 . . . . 0.0 109.092 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . 0.663 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 15.9 m-20 -109.49 159.5 17.0 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 19.9 t -112.53 71.9 0.76 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.075 0.464 . . . . 0.0 111.15 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -148.36 135.06 19.87 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.515 0.674 . . . . 0.0 111.795 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.2 p -127.8 144.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 11.3 m -105.9 137.29 44.04 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.923 -0.486 . . . . 0.0 111.418 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.621 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 41.9 t30 -96.81 114.3 64.33 Favored Pre-proline 0 CA--C 1.508 -0.649 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.76 -17.16 58.67 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 123.005 2.47 . . . . 0.0 113.49 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.8 m -78.52 -52.86 7.89 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.16 0.505 . . . . 0.0 110.563 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 36.9 p -93.14 -16.15 25.22 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.406 0.622 . . . . 0.0 110.939 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.3 15.02 81.4 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.2 t60 -93.29 137.83 32.23 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' 1517 ' ' GLN . 2.8 tm? -97.82 120.88 38.99 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.621 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 47.9 m-85 -95.81 106.9 19.08 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -108.89 117.88 35.34 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.873 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 93.6 mt -102.51 22.91 12.71 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 23.4 m -63.74 -20.04 65.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 8.9 p -71.69 -24.85 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' 1552 ' ' ILE . 96.0 mt -92.0 13.11 19.67 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.831 -177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' 1552 ' ' ILE . 66.5 p -81.62 32.75 0.36 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.32 95.74 0.45 Allowed Glycine 0 N--CA 1.435 -1.369 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.488 ' HA ' ' HB3' ' A' 1551 ' ' SER . 14.7 ptt180 -71.05 -8.33 52.62 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 123.244 0.618 . . . . 0.0 112.599 -175.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.5 65.81 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.247 0.546 . . . . 0.0 110.78 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.47 100.99 2.4 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.674 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -71.7 128.31 35.39 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.2 m -102.43 112.67 25.49 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -170.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.16 96.45 10.59 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -95.01 96.18 9.1 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.168 0.509 . . . . 0.0 109.984 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.8 p90 -86.87 -17.25 33.76 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.652 0.739 . . . . 0.0 109.696 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.83 147.63 49.97 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -77.98 119.05 20.88 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 120.961 0.41 . . . . 0.0 111.796 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.55 -23.41 10.33 Favored Glycine 0 N--CA 1.436 -1.363 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.718 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.658 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.2 p-90 -154.46 131.91 11.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 0.0 111.498 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.31 -177.46 15.56 Favored Glycine 0 N--CA 1.427 -1.944 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.851 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.854 HG21 ' HZ ' ' A' 1638 ' ' PHE . 71.5 t -99.51 122.2 51.04 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 123.411 0.684 . . . . 0.0 111.076 -179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 58.0 m-85 -96.34 98.77 10.54 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 177.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.4 ptp -117.2 143.05 46.28 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 11.6 p -114.38 130.12 56.68 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.613 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -86.38 103.9 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.255 -0.278 . . . . 0.0 110.3 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 74.5 m 58.7 89.15 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.98 0.912 . . . . 0.0 110.86 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.03 116.73 1.13 Allowed Glycine 0 N--CA 1.434 -1.492 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.684 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.0 pt-20 -54.78 120.56 6.98 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.454 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.1 t-20 -63.89 132.43 50.76 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 110.2 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.93 -12.88 54.73 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.57 -27.99 66.56 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.35 0.595 . . . . 0.0 110.95 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.001 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.9 m -124.47 174.94 3.27 Favored Pre-proline 0 C--N 1.3 -1.553 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.192 -178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.571 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -45.77 128.79 11.32 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 123.103 2.535 . . . . 0.0 112.353 175.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 83.6 Cg_exo -50.16 125.87 15.93 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 124.079 3.186 . . . . 0.0 113.438 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.684 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.85 -24.72 6.32 Favored Glycine 0 N--CA 1.436 -1.304 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.001 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.5 p -73.02 150.83 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.01 -25.93 4.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -142.86 137.89 29.89 Favored 'General case' 0 C--N 1.311 -1.07 0 O-C-N 122.625 -0.338 . . . . 0.0 110.285 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.66 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.2 m -117.97 151.68 36.97 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.452 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 10.9 t80 -148.65 163.57 36.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.658 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.33 178.51 50.67 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.441 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -90.1 -19.0 24.83 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 120.737 0.303 . . . . 0.0 110.747 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 32.4 p -88.86 -83.59 0.22 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -169.88 32.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.93 128.72 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.7 p -92.1 124.71 36.39 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-O 121.551 0.691 . . . . 0.0 111.319 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.741 HG12 ' HB2' ' A' 1608 ' ' SER . 3.0 t -103.11 33.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-O 122.361 1.077 . . . . 0.0 109.024 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.95 157.71 14.01 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.088 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 95.4 mttt -86.08 152.91 22.49 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.92 75.18 2.84 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.08 129.72 38.41 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' 1513 ' ' HIS . 85.6 mttt -93.35 36.36 1.07 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.985 0.898 . . . . 0.0 108.967 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -90.26 76.97 6.75 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.965 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.7 tp -76.38 120.98 22.37 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.859 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.54 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 81.2 mtp180 -111.49 160.88 16.72 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.378 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.1 t80 -127.26 108.01 10.49 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.3 m -138.49 140.01 40.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 C-N-CA 122.623 0.369 . . . . 0.0 110.022 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.0 t70 48.33 48.51 18.9 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.319 1.048 . . . . 0.0 111.456 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 59.27 23.32 11.7 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 114.537 -1.21 . . . . 0.0 114.008 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 25.0 m -136.03 160.22 38.79 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.769 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.4 mt -90.9 137.07 32.65 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.54 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.7 tp-100 -123.93 128.26 49.17 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -174.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 12.7 mt -123.23 134.17 54.15 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 123.28 0.632 . . . . 0.0 109.324 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.485 HG23 HG22 ' A' 1609 ' ' VAL . 10.0 p -128.57 120.02 51.61 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.887 0.851 . . . . 0.0 111.565 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.87 104.6 14.34 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.367 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -106.91 -179.89 4.07 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.07 62.75 1.17 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 124.072 0.858 . . . . 0.0 112.006 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -123.12 -74.23 0.28 Allowed Glycine 0 N--CA 1.434 -1.481 0 C-N-CA 117.891 -2.099 . . . . 0.0 112.76 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.576 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 23.3 t -116.4 140.11 26.17 Favored Pre-proline 0 C--N 1.294 -1.812 0 O-C-N 122.612 -0.346 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.0 OUTLIER -82.73 47.54 2.49 Favored 'Trans proline' 0 C--O 1.248 0.978 0 C-N-CA 124.042 3.161 . . . . 0.0 111.374 177.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 9.4 p -47.94 126.83 11.43 Favored Pre-proline 0 C--O 1.25 1.088 0 C-N-CA 125.806 1.643 . . . . 0.0 113.906 -176.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 102.5 0.51 Allowed 'Trans proline' 0 N--CA 1.449 -1.118 0 C-N-CA 122.632 2.221 . . . . 0.0 108.907 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.2 p -131.93 -170.37 2.39 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.675 -176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' 1632 ' ' GLN . 0.8 OUTLIER -57.15 -51.25 70.06 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.28 0.362 . . . . 0.0 110.797 -177.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.525 ' HB2' HD21 ' A' 1604 ' ' LEU . 44.8 m -101.37 -26.55 13.56 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 119.461 -0.896 . . . . 0.0 112.17 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.45 48.56 6.26 Favored Glycine 0 C--O 1.217 -0.949 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.604 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1633 ' ' THR . 1.5 mm? -82.56 -84.72 0.12 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 117.33 0.565 . . . . 0.0 111.268 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.9 t -166.02 152.89 9.69 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.611 ' CD2' ' HB3' ' A' 1598 ' ' CYS . 0.2 OUTLIER -68.96 48.44 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.848 2.059 . . . . 0.0 112.088 -177.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.3 pttt -69.53 137.17 52.25 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.741 ' HB2' HG12 ' A' 1574 ' ' VAL . 22.9 t -104.1 131.55 51.26 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.82 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.485 HG22 HG23 ' A' 1591 ' ' VAL . 87.0 t -120.8 110.25 27.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.542 0.687 . . . . 0.0 109.49 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.2 mt -101.85 118.11 48.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.821 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.0 p -104.03 120.42 41.04 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.769 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.2 m-85 -93.02 110.48 21.95 Favored 'General case' 0 C--N 1.288 -2.067 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.1 t -101.0 135.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.793 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.7 t -62.42 130.02 43.29 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.989 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -156.57 116.61 2.12 Favored Pre-proline 0 N--CA 1.426 -1.657 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.761 170.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -68.72 -26.99 32.38 Favored 'Trans proline' 0 C--O 1.216 -0.591 0 C-N-CA 122.764 2.309 . . . . 0.0 112.139 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -96.28 33.06 1.83 Allowed 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.281 -0.262 . . . . 0.0 110.344 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -77.57 42.05 0.35 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.45 -75.45 0.55 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -85.3 -1.09 9.15 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.115 1.877 . . . . 0.0 112.526 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 7.7 p -106.11 13.66 28.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.634 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.0 t-20 -83.85 61.32 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -151.86 157.57 34.31 Favored Pre-proline 0 C--N 1.286 -2.182 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 74.3 Cg_endo -81.35 133.64 8.64 Favored 'Trans proline' 0 N--CA 1.438 -1.773 0 C-N-CA 122.13 1.887 . . . . 0.0 110.846 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.2 ttp -121.11 123.15 41.64 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1637 ' ' PHE . 46.1 tp -71.84 118.26 14.46 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.63 -53.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.81 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.8 t -157.38 163.88 38.12 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.415 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.02 113.67 25.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' 1637 ' ' PHE . 10.1 t70 -78.98 103.64 9.06 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.703 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.72 -10.01 59.62 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.261 -177.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . 0.461 ' HA ' ' HB3' ' A' 1601 ' ' LYS . 47.8 mt-30 -80.38 -59.3 2.75 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-O 121.234 0.54 . . . . 0.0 109.932 -175.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.643 ' HA ' HD23 ' A' 1604 ' ' LEU . 7.6 t -105.58 5.43 31.3 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.063 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 12.1 t 65.23 65.7 0.57 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 124.333 1.053 . . . . 0.0 109.005 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' 1630 ' ' ASP . 91.3 m -128.6 135.43 49.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.532 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.76 118.6 35.86 Favored 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' A' 1630 ' ' ASP . 76.2 m-85 -88.93 113.78 24.84 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.081 0.238 . . . . 0.0 110.526 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.854 ' HZ ' HG21 ' A' 1548 ' ' VAL . 84.5 m-85 -113.64 141.58 47.04 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 120.866 0.365 . . . . 0.0 111.614 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.7 t -119.84 121.07 38.28 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -111.4 129.7 55.93 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' 1622 ' ' ASN . 78.4 m80 -96.57 112.77 24.39 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.2 t -142.74 143.92 27.75 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.527 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 7.7 Cg_exo -74.79 -12.25 21.97 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.385 2.724 . . . . 0.0 110.786 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.55 -11.42 59.87 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.165 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.56 -1.31 47.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.454 0.645 . . . . 0.0 109.961 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.833 ' HB3' HD13 ' A' 1648 ' ' LEU . 82.9 m -82.88 129.96 35.07 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.188 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.99 75.79 2.66 Favored 'General case' 0 N--CA 1.415 -2.202 0 CA-C-O 123.302 1.525 . . . . 0.0 109.852 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.6 mp -116.11 145.16 43.27 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 113.263 -1.789 . . . . 0.0 106.459 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.622 0 O-C-N 124.659 1.224 . . . . 0.0 110.466 -179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 C--O 1.221 -0.401 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 24.7 tptp -150.03 24.34 0.84 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.663 0.744 . . . . 0.0 110.275 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 48.6 m -92.14 62.21 4.11 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.076 0.941 . . . . 0.0 111.084 -177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -90.81 -6.32 54.46 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' 1578 ' ' ASN . 50.5 mm-40 -97.87 21.72 10.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 122.114 0.959 . . . . 0.0 111.732 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 59.6 t60 -144.28 90.52 2.11 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -144.53 -63.97 0.36 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -122.61 98.54 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.181 0.991 . . . . 0.0 108.735 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 11.8 m -100.87 64.75 1.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -163.89 158.98 20.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.006 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.9 p -142.14 146.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.5 m -103.07 141.04 36.51 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.759 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 34.5 t30 -101.63 106.43 46.38 Favored Pre-proline 0 C--N 1.305 -1.344 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 174.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.8 -12.79 27.06 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 123.401 2.734 . . . . 0.0 113.249 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.0 t -73.62 -59.96 2.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 123.528 0.731 . . . . 0.0 109.517 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 75.7 p -94.26 -20.46 19.79 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.106 0.479 . . . . 0.0 111.272 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.64 12.29 72.56 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' 1648 ' ' LEU . 45.5 t-80 -84.9 136.45 33.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.17 -0.515 . . . . 0.0 111.052 -175.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -97.53 120.5 38.02 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 175.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.759 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 69.3 m-85 -95.6 106.82 18.96 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -106.63 110.66 22.91 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 89.8 mt -102.97 19.18 19.95 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 120.717 0.294 . . . . 0.0 111.686 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.0 m -63.58 -22.2 66.77 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 11.7 p -71.61 -20.54 61.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.574 0.702 . . . . 0.0 111.305 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.3 13.86 10.7 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.788 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 53.1 p -77.99 34.18 0.19 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.32 85.25 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.949 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -65.26 -11.7 43.96 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 125.388 1.475 . . . . 0.0 113.456 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.52 61.59 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.474 0.654 . . . . 0.0 110.135 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.02 98.1 2.22 Favored Glycine 0 N--CA 1.425 -2.035 0 CA-C-N 114.992 -1.004 . . . . 0.0 113.297 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.52 133.29 52.08 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.586 ' HA ' ' O ' ' A' 1548 ' ' VAL . 29.6 m -102.45 109.37 20.99 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 121.418 0.628 . . . . 0.0 111.968 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.674 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.61 86.68 4.17 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 173.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.44 103.85 15.82 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.5 p90 -87.07 -17.64 32.41 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.985 0.898 . . . . 0.0 108.755 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -123.54 160.15 27.63 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.103 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -80.64 117.59 21.47 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.432 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 105.42 -18.46 41.58 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.154 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.627 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 3.1 p-90 -151.54 145.64 25.3 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 117.332 0.566 . . . . 0.0 109.897 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -157.74 -171.4 23.66 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.237 -0.983 . . . . 0.0 111.88 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.6 t -97.07 126.91 49.72 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.618 0 C-N-CA 123.197 0.599 . . . . 0.0 109.987 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -106.08 96.61 6.6 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.1 ptm -121.5 138.48 54.28 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 36.9 t -114.96 136.18 53.4 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.617 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.7 mm -92.73 105.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.2 t 59.27 89.12 0.06 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.81 0.814 . . . . 0.0 109.948 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.53 117.35 1.2 Allowed Glycine 0 N--CA 1.432 -1.62 0 C-N-CA 119.697 -1.24 . . . . 0.0 111.178 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -53.7 128.33 29.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.764 0.826 . . . . 0.0 111.209 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.34 126.79 30.86 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.718 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -83.83 -10.62 57.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -85.14 -23.59 28.35 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 122.194 0.997 . . . . 0.0 108.345 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 79.5 m -105.99 170.59 5.66 Favored Pre-proline 0 C--N 1.288 -2.08 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.573 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.6 142.71 95.57 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.265 1.977 . . . . 0.0 110.38 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.32 137.62 64.34 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.524 2.816 . . . . 0.0 112.171 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 108.39 -35.44 4.97 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' 1576 ' ' LYS . 62.1 t -76.38 141.5 15.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 122.869 0.468 . . . . 0.0 109.997 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -114.48 -23.25 4.84 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.342 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.14 136.74 30.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 82.3 m -128.1 152.71 47.66 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.604 ' O ' ' HB ' ' A' 1572 ' ' ILE . 13.3 t80 -142.53 149.49 39.18 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.627 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 88.03 178.43 47.46 Favored Glycine 0 C--N 1.301 -1.395 0 C-N-CA 120.001 -1.095 . . . . 0.0 111.514 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -90.18 -19.51 24.14 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.4 p -80.75 -84.63 0.1 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 119.118 -1.033 . . . . 0.0 112.931 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -171.48 31.64 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.65 0.78 . . . . 0.0 110.046 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' 1567 ' ' PHE . 67.2 mt -61.74 109.95 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.555 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.584 -177.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.8 m -79.57 121.23 24.99 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' 1608 ' ' SER . 15.5 t -85.94 -28.22 6.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-O 122.414 1.102 . . . . 0.0 108.156 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.38 161.26 25.55 Favored Glycine 0 N--CA 1.404 -3.458 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.293 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.7 mttt -80.32 161.67 24.94 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.97 127.51 33.07 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . 0.475 ' HA ' ' OE1' ' A' 1512 ' ' GLU . 32.9 m-80 -123.12 134.07 54.24 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' 1512 ' ' GLU . 1.1 pptp? -96.12 7.77 45.53 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -96.66 85.79 3.93 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.758 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' 1588 ' ' LEU . 56.4 tp -72.33 127.46 32.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.2 mtt180 -113.75 162.17 16.61 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.634 ' HD1' HD23 ' A' 1588 ' ' LEU . 58.8 t80 -125.85 106.84 9.96 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 173.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 30.1 m -138.05 137.2 44.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.011 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 33.0 t70 54.13 41.43 32.02 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 122.691 1.234 . . . . 0.0 111.026 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.437 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 67.7 mt-30 62.54 23.35 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.206 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 31.9 m -134.41 156.74 40.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.0 mt -90.55 134.82 34.11 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.7 tt0 -115.9 127.31 54.9 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 120.965 0.412 . . . . 0.0 112.092 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.94 113.13 17.42 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 168.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -106.13 114.37 45.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 CA-C-O 121.805 0.812 . . . . 0.0 110.373 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -99.86 101.76 12.98 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.99 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.5 OUTLIER -106.04 177.27 4.9 Favored 'General case' 0 C--O 1.252 1.21 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 58.05 45.25 18.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.892 1.277 . . . . 0.0 113.2 173.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.24 -72.1 1.13 Allowed Glycine 0 N--CA 1.435 -1.372 0 C-N-CA 119.182 -1.485 . . . . 0.0 110.126 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 43.2 m -109.85 140.24 22.07 Favored Pre-proline 0 C--N 1.296 -1.725 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -79.85 48.04 2.73 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 124.095 3.196 . . . . 0.0 111.598 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.471 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 43.8 t -44.66 129.39 5.06 Favored Pre-proline 0 C--O 1.239 0.526 0 C-N-CA 125.553 1.541 . . . . 0.0 111.215 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' 1598 ' ' CYS . 11.6 Cg_endo -57.08 96.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.302 2.668 . . . . 0.0 110.173 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.412 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 29.4 t -108.85 159.3 16.9 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.531 -173.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -52.61 62.94 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 3.6 p -97.69 -6.65 32.6 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.272 0.558 . . . . 0.0 112.025 177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 85.3 49.16 4.53 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.551 -0.749 . . . . 0.0 114.418 171.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.06 -101.09 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 117.397 0.599 . . . . 0.0 110.281 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 70.4 p -168.62 173.74 7.17 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.583 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.7 t80 -80.5 47.24 0.92 Allowed 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' 1635 ' ' THR . 60.1 pttt -67.09 157.17 34.25 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.016 1.326 . . . . 0.0 114.349 -172.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.447 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 39.0 t -120.58 136.83 54.69 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.422 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.5 t -115.23 107.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.16 115.38 30.17 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' 1588 ' ' LEU . 16.9 m -108.53 110.92 22.53 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 177.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.813 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 78.4 m-85 -86.84 123.17 31.69 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.423 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 47.7 t -113.13 134.31 56.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.4 t -57.55 120.25 7.96 Favored 'General case' 0 C--N 1.309 -1.164 0 C-N-CA 123.86 0.864 . . . . 0.0 113.248 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -148.07 94.66 4.26 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.622 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.921 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 34.0 Cg_exo -62.57 -16.01 49.67 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.179 2.586 . . . . 0.0 113.106 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -90.4 -2.25 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.798 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.576 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.5 41.4 0.47 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.6 -69.61 1.35 Allowed Glycine 0 N--CA 1.43 -1.738 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.42 -13.38 9.84 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.257 1.971 . . . . 0.0 112.12 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 4.3 p -103.52 28.88 6.09 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 122.193 0.996 . . . . 0.0 110.127 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.03 75.02 10.18 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.522 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -133.79 147.73 65.52 Favored Pre-proline 0 C--N 1.313 -1.011 0 O-C-N 122.155 -0.34 . . . . 0.0 110.716 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.674 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 48.4 Cg_endo -80.66 134.42 9.78 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.363 2.042 . . . . 0.0 110.514 173.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.6 ttp -121.61 128.29 51.78 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 122.188 -0.32 . . . . 0.0 110.32 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.597 HD21 HD23 ' A' 1629 ' ' LEU . 53.4 tp -78.85 122.61 26.3 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.6 mm -93.97 -55.01 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.601 -175.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.5 t -145.31 155.42 43.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.597 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.94 104.37 9.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.575 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.4 t70 -85.94 110.83 19.72 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.427 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -14.6 59.27 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.847 -176.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -54.1 5.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.334 0.588 . . . . 0.0 110.112 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.453 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.5 t -96.23 5.58 50.71 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.151 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.583 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 75.7 m 52.81 51.29 16.24 Favored 'General case' 0 C--O 1.2 -1.526 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.97 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' 1607 ' ' LYS . 48.9 m -117.35 126.86 53.39 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.423 0.63 . . . . 0.0 112.128 -176.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.593 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.4 mp -92.44 114.94 27.63 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.693 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.575 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.3 m-85 -92.45 114.99 27.69 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 49.2 m-85 -111.39 145.97 37.97 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-O 121.047 0.451 . . . . 0.0 112.216 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1611 ' ' SER . 22.4 t -123.17 118.01 26.66 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 174.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 3.0 t90 -114.06 108.05 16.47 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 51.6 m80 -78.65 112.93 16.25 Favored 'General case' 0 C--N 1.286 -2.163 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -140.91 142.89 29.6 Favored Pre-proline 0 C--N 1.294 -1.84 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.361 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.921 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 4.8 Cg_exo -76.17 -12.5 19.26 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.262 2.641 . . . . 0.0 111.369 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.19 -12.02 59.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.755 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.16 5.73 51.0 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.248 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 70.8 m -76.57 123.25 25.79 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.554 0.692 . . . . 0.0 111.978 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 77.25 6.51 Favored 'General case' 0 N--CA 1.423 -1.806 0 CA-C-O 122.644 1.211 . . . . 0.0 110.536 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.5 pp -107.95 159.78 16.28 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.787 175.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.961 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.126 -178.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.4 tptp -130.38 -28.8 2.06 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.668 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 34.9 t -117.73 31.4 6.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.82 0.819 . . . . 0.0 110.681 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 65.5 t30 -116.96 35.4 4.64 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.45 -43.5 85.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.123 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.656 ' HB2' ' HD3' ' A' 1580 ' ' ARG . 63.0 m80 -100.11 108.36 20.49 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.691 ' HA ' ' HB2' ' A' 1579 ' ' LYS . 3.8 p30 -104.31 -5.44 21.8 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 123.417 0.448 . . . . 0.0 111.74 -175.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.72 112.47 14.58 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t -79.3 66.62 4.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.045 0.926 . . . . 0.0 110.698 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.7 pt20 -154.68 146.58 23.48 Favored 'General case' 0 N--CA 1.406 -2.656 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.322 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.467 HG13 ' HD2' ' A' 1527 ' ' PHE . 13.4 p -141.86 140.7 30.11 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . 0.417 ' OG1' HD23 ' A' 1526 ' ' LEU . 20.1 m -104.41 129.12 52.37 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 121.751 -0.593 . . . . 0.0 110.577 -175.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.748 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 56.4 t30 -87.44 107.91 17.31 Favored Pre-proline 0 CA--C 1.506 -0.749 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.77 -10.42 29.05 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.756 2.304 . . . . 0.0 112.452 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.5 m -77.43 -47.72 19.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.124 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.464 HG21 ' O ' ' A' 1647 ' ' GLU . 41.8 p -104.21 -16.44 15.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 111.605 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.15 21.58 64.92 Favored Glycine 0 N--CA 1.434 -1.437 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -95.19 118.74 32.49 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-O 120.879 0.371 . . . . 0.0 110.743 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' 1517 ' ' GLN . 2.7 tm? -81.22 118.17 22.36 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.748 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 74.1 m-85 -90.55 106.91 18.82 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 15.2 t70 -111.28 116.96 31.89 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.53 13.87 32.47 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.816 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -20.89 60.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -71.87 -17.98 62.09 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 121.946 -0.471 . . . . 0.0 111.516 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.1 mt -92.84 14.02 18.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 0.0 111.71 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 28.8 p -73.63 34.16 0.08 Allowed 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.01 89.23 0.39 Allowed Glycine 0 C--O 1.24 0.514 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' 1551 ' ' SER . 17.0 ptp180 -69.85 -8.52 49.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.26 65.91 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.134 0.492 . . . . 0.0 110.488 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 103.5 100.54 2.59 Favored Glycine 0 N--CA 1.428 -1.853 0 C-N-CA 120.697 -0.763 . . . . 0.0 114.367 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.47 129.2 38.2 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' 1548 ' ' VAL . 13.1 m -102.37 112.22 24.84 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -171.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -95.37 94.55 7.9 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -99.9 129.46 45.99 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.854 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 13.5 p90 -106.25 -22.04 12.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -130.12 139.39 50.92 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.33 117.8 7.77 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 123.732 0.645 . . . . 0.0 112.508 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.22 -29.29 7.12 Favored Glycine 0 N--CA 1.427 -1.963 0 CA-C-N 115.041 -0.981 . . . . 0.0 113.037 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.479 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.8 p-90 -141.9 123.77 15.27 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.83 0.824 . . . . 0.0 111.716 -176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -145.26 -173.61 16.69 Favored Glycine 0 N--CA 1.413 -2.851 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.614 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.819 HG21 ' HZ ' ' A' 1638 ' ' PHE . 64.6 t -98.37 113.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 120.671 0.272 . . . . 0.0 111.534 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -87.35 103.93 15.94 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.0 ptp -121.1 150.92 40.49 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.056 0.455 . . . . 0.0 112.162 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.7 t -118.55 134.5 55.05 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 174.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.58 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.7 mm -89.75 95.45 5.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.486 ' HA ' ' HG2' ' A' 1579 ' ' LYS . 56.7 m 60.9 95.81 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.283 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.2 115.83 1.0 Allowed Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' 1555 ' ' GLU . 1.4 mp0 -47.47 106.92 0.1 Allowed 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 125.37 1.468 . . . . 0.0 112.2 -175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.588 ' HB3' HG13 ' A' 1563 ' ' VAL . 50.6 t-20 -64.22 122.78 17.45 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.041 1.337 . . . . 0.0 109.952 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.5 -6.28 59.36 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.26 -30.78 71.82 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.441 0.639 . . . . 0.0 111.093 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.059 ' HB2' HG11 ' A' 1563 ' ' VAL . 70.8 m -122.04 -178.2 0.59 Allowed Pre-proline 0 C--N 1.295 -1.766 0 CA-C-O 117.525 -1.226 . . . . 0.0 108.492 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 2.5 Cg_endo -45.22 128.34 9.67 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.504 2.136 . . . . 0.0 111.525 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.37 121.06 6.44 Favored 'Trans proline' 0 C--O 1.244 0.804 0 C-N-CA 123.912 3.075 . . . . 0.0 113.556 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 122.19 -11.48 9.23 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.65 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.059 HG11 ' HB2' ' A' 1559 ' ' CYS . 8.6 p -78.49 158.95 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.52 -41.05 1.53 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.542 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -136.97 143.31 42.76 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.869 -0.195 . . . . 0.0 110.688 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' 1548 ' ' VAL . 66.4 m -125.83 131.37 52.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.457 ' HB2' HG21 ' A' 1574 ' ' VAL . 10.8 t80 -120.24 157.09 29.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.479 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.04 179.1 51.0 Favored Glycine 0 N--CA 1.424 -2.102 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.698 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.42 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 22.6 mt-30 -89.58 -21.2 22.97 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.9 p -83.17 -84.02 0.13 Allowed 'General case' 0 C--O 1.24 0.572 0 C-N-CA 119.565 -0.854 . . . . 0.0 112.853 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -170.62 32.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.661 0.384 . . . . 0.0 111.338 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' 1567 ' ' PHE . 75.4 mt -58.39 106.55 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 121.61 19.93 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.38 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 2.5 t -102.77 33.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-O 122.512 1.149 . . . . 0.0 108.139 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 122.86 151.07 8.24 Favored Glycine 0 N--CA 1.415 -2.756 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.047 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 36.3 tptt -80.37 152.1 29.07 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.78 84.1 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.577 0.703 . . . . 0.0 112.284 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . 0.499 ' H ' ' HD1' ' A' 1592 ' ' TYR . 0.8 OUTLIER -84.89 98.07 10.12 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 174.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.691 ' HB2' ' HA ' ' A' 1514 ' ' ASP . 51.1 mtpt -83.82 29.18 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.245 0.545 . . . . 0.0 111.973 -172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.656 ' HD3' ' HB2' ' A' 1513 ' ' HIS . 32.2 tpt180 -98.72 103.57 15.54 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.224 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' 1588 ' ' LEU . 43.2 tp -77.03 130.81 37.94 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.642 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -116.91 158.25 24.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 69.3 t80 -120.56 107.72 13.18 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.4 m -134.3 141.23 44.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 42.2 m-20 45.96 40.81 7.3 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.187 0.995 . . . . 0.0 113.033 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.93 23.33 13.3 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.404 0.891 . . . . 0.0 113.404 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -134.2 166.21 29.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.9 mt -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' 1610 ' ' ILE . 30.0 tt0 -126.92 134.74 50.37 Favored 'General case' 0 C--N 1.288 -2.109 0 CA-C-O 121.179 0.514 . . . . 0.0 111.017 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.55 123.92 41.14 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.1 p -124.81 110.46 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.907 0 CA-C-O 122.297 1.046 . . . . 0.0 110.755 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.499 ' HD1' ' H ' ' A' 1578 ' ' ASN . 30.8 m-85 -94.79 99.92 11.91 Favored 'General case' 0 C--N 1.287 -2.133 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.308 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.96 171.42 7.86 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.726 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 19.6 t70 55.26 69.51 0.73 Allowed 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 125.789 1.635 . . . . 0.0 112.78 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.11 -72.61 0.53 Allowed Glycine 0 N--CA 1.432 -1.612 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.522 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 29.2 m -106.72 131.54 21.62 Favored Pre-proline 0 C--N 1.297 -1.701 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.7 Cg_endo -82.61 47.78 2.57 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.677 3.585 . . . . 0.0 113.513 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 16.2 p -50.39 121.28 13.73 Favored Pre-proline 0 C--O 1.251 1.145 0 C-N-CA 124.269 1.028 . . . . 0.0 113.124 -177.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 17.3 Cg_exo -70.69 115.94 4.44 Favored 'Trans proline' 0 C--O 1.249 1.058 0 C-N-CA 123.038 2.492 . . . . 0.0 109.869 174.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.5 t -151.8 -161.51 1.33 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -51.1 -51.04 57.25 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.425 1.09 . . . . 0.0 112.682 -175.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 36.2 t -113.41 -26.31 8.4 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.97 0.891 . . . . 0.0 110.695 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.86 48.11 6.3 Favored Glycine 0 N--CA 1.426 -1.979 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.397 176.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -72.68 -94.44 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 39.4 p -168.63 162.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.874 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 9.9 t80 -75.61 49.5 0.5 Allowed 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 124.259 1.024 . . . . 0.0 110.037 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -67.14 153.14 44.38 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.499 1.52 . . . . 0.0 114.219 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' 1574 ' ' VAL . 14.9 p -114.89 136.18 53.38 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.787 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.0 t -119.2 108.05 22.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 13.4 mt -95.37 117.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' 1639 ' ' SER . 35.4 p -104.74 111.6 24.38 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 121.294 0.568 . . . . 0.0 109.517 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.912 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 74.0 m-85 -90.96 112.8 24.84 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 23.7 t -107.41 139.32 29.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 16.4 t -57.35 126.05 25.52 Favored 'General case' 0 C--O 1.249 1.041 0 O-C-N 124.286 0.991 . . . . 0.0 110.862 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 18.2 tpp180 -157.36 99.11 1.93 Allowed Pre-proline 0 N--CA 1.428 -1.572 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.578 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -65.43 -13.46 39.89 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.078 2.518 . . . . 0.0 112.36 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -106.35 32.52 4.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.461 0.648 . . . . 0.0 109.705 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -96.92 41.97 1.1 Allowed 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.944 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.33 -77.02 0.34 Allowed Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.027 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -77.73 -9.64 17.06 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 121.861 1.707 . . . . 0.0 112.319 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.8 t -108.04 25.21 11.86 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-O 122.098 0.952 . . . . 0.0 109.782 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1618 ' ' ALA . 5.7 t-20 -84.56 70.98 10.8 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -150.39 158.35 36.13 Favored Pre-proline 0 C--N 1.284 -2.243 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.365 -174.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.567 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 65.5 Cg_endo -83.18 132.78 6.22 Favored 'Trans proline' 0 N--CA 1.434 -2.014 0 C-N-CA 121.719 1.613 . . . . 0.0 109.638 174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.6 ttp -120.88 128.5 52.86 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.558 HD21 HD23 ' A' 1629 ' ' LEU . 52.1 tp -77.04 113.85 15.2 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.7 mm -85.77 -52.95 11.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.671 -174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 32.9 t -148.54 153.74 38.83 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -176.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.558 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.93 112.11 18.36 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.555 ' OD1' HG22 ' A' 1633 ' ' THR . 13.8 t70 -104.19 110.75 23.07 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.735 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.52 -13.34 59.88 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -77.07 -56.38 4.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.337 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.7 t -92.14 5.16 51.38 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.795 0.807 . . . . 0.0 109.092 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.874 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 84.5 m 54.62 36.06 25.11 Favored 'General case' 0 C--O 1.213 -0.834 0 C-N-CA 124.794 1.238 . . . . 0.0 111.539 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 37.2 m -104.92 123.66 48.14 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.502 0.668 . . . . 0.0 111.724 -174.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.545 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -92.1 115.71 28.31 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 173.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.7 m-85 -92.47 113.93 26.34 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.556 -176.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.819 ' HZ ' HG21 ' A' 1548 ' ' VAL . 98.5 m-85 -113.13 144.52 42.51 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.235 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' 1611 ' ' SER . 21.2 t -126.09 129.63 49.48 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 172.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -114.53 129.26 56.65 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 32.2 m170 -89.11 111.9 22.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 10.2 t -143.03 140.16 17.62 Favored Pre-proline 0 N--CA 1.435 -1.222 0 CA-C-O 121.292 0.568 . . . . 0.0 111.633 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 1642 ' ' THR . 7.1 Cg_exo -76.03 -12.52 19.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.483 2.789 . . . . 0.0 111.272 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' 1527 ' ' PHE . 90.2 mt -74.41 -20.44 60.05 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.72 -0.16 55.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.207 0.527 . . . . 0.0 110.733 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.707 ' HB3' HD13 ' A' 1648 ' ' LEU . 64.8 m -82.03 131.71 35.25 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' 1523 ' ' THR . 11.2 pt-20 -93.04 75.95 4.71 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-O 122.842 1.306 . . . . 0.0 109.817 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' 1646 ' ' CYS . 9.7 mp -118.49 166.13 13.06 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.231 -1.35 . . . . 0.0 109.357 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.914 0 O-C-N 125.192 1.558 . . . . 0.0 111.731 175.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -120.77 83.43 2.07 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.852 ' HB3' ' HB2' ' A' 1514 ' ' ASP . 26.4 m -78.59 54.38 1.47 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.367 0.603 . . . . 0.0 111.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -76.44 -20.21 57.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.168 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -77.32 22.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.849 0.46 . . . . 0.0 111.808 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.551 ' O ' ' HE2' ' A' 1579 ' ' LYS . 16.3 m-70 73.84 34.64 0.89 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.639 1.175 . . . . 0.0 110.633 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.852 ' HB2' ' HB3' ' A' 1510 ' ' SER . 23.0 m-20 -89.92 -35.07 15.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.086 0.47 . . . . 0.0 110.152 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . 0.515 ' HB2' ' HB2' ' A' 1510 ' ' SER . 21.9 m-20 -149.52 160.47 43.45 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 14.8 t -85.38 70.7 10.84 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -146.94 154.7 41.58 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 120.911 0.386 . . . . 0.0 111.275 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.3 p -147.38 152.94 12.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 17.5 m -117.3 136.22 53.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 118.514 0.597 . . . . 0.0 111.362 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.484 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 44.3 t30 -87.74 112.1 46.52 Favored Pre-proline 0 C--O 1.214 -0.78 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 174.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.3 -18.23 62.51 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.05 2.5 . . . . 0.0 113.385 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.0 m -74.51 -46.71 37.58 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.873 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.4 p -101.22 -15.09 17.44 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.467 0.651 . . . . 0.0 110.644 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.68 14.48 82.37 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -88.55 123.87 33.47 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -83.48 130.11 35.01 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.154 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.489 ' HD2' HG13 ' A' 1518 ' ' VAL . 36.4 m-85 -108.09 106.59 16.88 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -107.16 115.53 30.33 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.3 0.572 . . . . 0.0 110.837 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.6 mt -101.75 12.84 36.42 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.1 m -66.14 -14.89 62.56 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.4 m -64.2 -28.58 69.84 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 121.866 0.841 . . . . 0.0 109.278 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.499 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.8 mt -92.89 14.48 17.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 112.014 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' 1552 ' ' ILE . 61.6 p -71.11 33.37 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -72.2 92.52 0.57 Allowed Glycine 0 N--CA 1.428 -1.858 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.882 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.554 ' HA ' ' HB3' ' A' 1551 ' ' SER . 9.0 ptp85 -67.15 -10.27 48.5 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.31 68.35 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 176.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 101.25 100.62 2.45 Favored Glycine 0 N--CA 1.427 -1.96 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.568 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -64.81 132.64 50.05 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.3 m -102.31 107.7 18.82 Favored 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.99 -171.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' 1548 ' ' VAL . . . -89.41 86.66 6.84 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.92 83.96 5.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.183 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.503 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 8.1 p90 -86.0 -13.86 46.27 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.895 -177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -144.49 150.22 37.23 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -79.79 127.32 32.08 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.88 -29.85 6.92 Favored Glycine 0 N--CA 1.422 -2.263 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.558 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.2 OUTLIER -158.93 134.99 8.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.397 0.618 . . . . 0.0 112.589 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -136.74 165.91 24.96 Favored Glycine 0 N--CA 1.429 -1.769 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.821 HG21 ' HZ ' ' A' 1638 ' ' PHE . 73.7 t -94.15 129.32 44.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 116.59 0.195 . . . . 0.0 110.517 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -107.33 96.1 6.18 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.5 ptp -114.27 142.13 46.69 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.554 ' HB3' ' HA ' ' A' 1535 ' ' ARG . 9.4 p -112.24 124.89 53.44 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.554 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -79.86 98.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 69.6 m 59.42 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.57 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.35 116.99 1.13 Allowed Glycine 0 N--CA 1.423 -2.196 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.674 ' HB2' ' H ' ' A' 1562 ' ' GLY . 0.7 OUTLIER -48.69 114.42 0.97 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.661 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.0 t-20 -55.77 132.45 49.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.078 1.751 . . . . 0.0 111.648 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.05 -25.89 27.33 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.76 -41.47 97.72 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.413 0.625 . . . . 0.0 110.689 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.85 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.3 m -107.74 167.15 9.76 Favored Pre-proline 0 C--N 1.294 -1.812 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.545 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 57.5 Cg_exo -49.27 136.92 31.2 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.759 2.306 . . . . 0.0 112.262 175.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 63.9 Cg_exo -52.14 134.51 50.26 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 124.109 3.206 . . . . 0.0 113.601 -176.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.674 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.77 -28.59 5.4 Favored Glycine 0 N--CA 1.433 -1.523 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.6 p -78.85 150.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.08 -25.07 4.9 Favored Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.186 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.473 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -146.78 135.91 22.56 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 122.733 -0.275 . . . . 0.0 110.43 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.06 150.05 40.64 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.503 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 15.1 t80 -146.85 158.6 43.96 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.558 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 91.67 179.43 42.04 Favored Glycine 0 N--CA 1.419 -2.437 0 C-N-CA 119.737 -1.221 . . . . 0.0 111.599 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -90.41 -22.32 21.51 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.7 p -90.55 -83.61 0.26 Allowed 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1560 ' ' PRO . 65.6 ttt180 -170.16 33.44 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 121.323 0.583 . . . . 0.0 110.702 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.52 121.24 15.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 O-C-N 121.157 -0.964 . . . . 0.0 110.417 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 46.0 m -86.13 117.18 24.8 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' 1608 ' ' SER . 3.2 t -101.12 31.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 122.588 1.185 . . . . 0.0 108.859 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 121.41 152.2 8.7 Favored Glycine 0 N--CA 1.421 -2.352 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.721 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 62.7 mttp -85.28 155.6 21.3 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 77.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.882 0.873 . . . . 0.0 113.232 -173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -82.02 101.45 10.34 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.208 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.551 ' HE2' ' O ' ' A' 1513 ' ' HIS . 24.1 pttm -86.37 63.92 8.26 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.097 1.427 . . . . 0.0 110.934 177.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.446 ' HB2' ' CE1' ' A' 1513 ' ' HIS . 37.2 tpt85 -122.28 77.72 1.43 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 112.865 -1.971 . . . . 0.0 109.056 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 52.7 tp -71.38 129.73 39.56 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.82 177.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -120.94 154.92 35.29 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -117.45 107.23 14.07 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 31.4 m -140.46 142.69 30.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.34 39.69 27.84 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.582 1.182 . . . . 0.0 111.167 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 62.03 23.64 13.96 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 113.984 -1.462 . . . . 0.0 113.8 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 30.1 m -135.17 158.23 40.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -91.01 126.96 36.25 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.93 130.87 55.45 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.057 0.456 . . . . 0.0 111.346 -175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' 1590 ' ' LEU . 16.5 mt -125.6 111.48 15.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.537 170.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.412 HG22 ' HG3' ' A' 1593 ' ' LYS . 7.6 p -112.47 115.95 51.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-O 121.832 0.825 . . . . 0.0 111.072 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -99.5 99.95 10.91 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.754 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.5 OUTLIER -99.27 179.08 4.7 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 59.56 36.94 22.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.776 1.231 . . . . 0.0 114.048 172.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.27 -71.69 1.26 Allowed Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.32 -1.419 . . . . 0.0 110.473 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.619 ' HB3' ' HB2' ' A' 1606 ' ' TYR . 42.3 t -113.98 132.02 22.87 Favored Pre-proline 0 C--N 1.286 -2.175 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -80.37 47.75 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 124.212 3.275 . . . . 0.0 109.99 175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 25.8 p -57.67 143.12 76.62 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 125.623 1.569 . . . . 0.0 112.355 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.81 118.05 4.88 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.675 2.25 . . . . 0.0 110.054 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.668 ' HB3' ' HB2' ' A' 1634 ' ' CYS . 12.1 p -133.61 -170.56 2.52 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.187 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -65.45 -51.95 56.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 4.2 p -120.24 3.09 10.89 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 89.81 49.9 3.24 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 119.12 -1.514 . . . . 0.0 113.664 176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' 1633 ' ' THR . 1.2 mm? -85.32 -102.13 0.06 Allowed 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.375 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -169.55 167.71 9.62 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.619 ' HB2' ' HB3' ' A' 1596 ' ' SER . 2.8 t80 -80.05 47.5 0.89 Allowed 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' 1635 ' ' THR . 63.1 pttt -74.81 150.35 39.33 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-O 121.643 0.735 . . . . 0.0 112.337 -173.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.516 ' HB3' HG12 ' A' 1574 ' ' VAL . 16.4 p -113.48 135.21 54.14 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.492 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.2 t -117.68 108.38 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.457 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 16.7 mt -94.92 123.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.3 p -116.54 111.95 20.66 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.638 0.733 . . . . 0.0 110.916 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.832 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.1 m-85 -88.1 124.53 33.87 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.467 -178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.4 t -114.96 139.36 41.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 19.8 t -57.92 128.26 36.21 Favored 'General case' 0 C--N 1.316 -0.871 0 O-C-N 123.921 0.763 . . . . 0.0 112.43 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' A' 1641 ' ' HIS . 24.6 ttm180 -162.98 102.83 1.02 Allowed Pre-proline 0 C--N 1.314 -0.948 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.268 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -68.1 -15.7 43.47 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.384 2.056 . . . . 0.0 111.697 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.3 23.13 4.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 123.036 0.535 . . . . 0.0 110.15 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' 1622 ' ' ASN . . . -91.25 41.75 1.08 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.91 -74.23 0.64 Allowed Glycine 0 C--N 1.314 -0.684 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.588 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.92 -14.22 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.003 1.802 . . . . 0.0 111.844 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 p -97.38 19.87 12.54 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.678 0.751 . . . . 0.0 111.26 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.6 t-20 -85.09 71.01 10.96 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.84 -178.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.49 148.09 60.23 Favored Pre-proline 0 C--N 1.306 -1.326 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.235 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.24 132.63 15.33 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 121.847 1.698 . . . . 0.0 109.491 173.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 39.3 mtm -120.26 131.49 54.95 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.705 HD21 HD23 ' A' 1629 ' ' LEU . 50.4 tp -80.17 119.37 22.85 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -93.98 -54.07 7.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.7 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.9 t -139.93 149.81 43.78 Favored 'General case' 0 N--CA 1.432 -1.365 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.705 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.38 105.27 10.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.506 ' OD1' HG22 ' A' 1633 ' ' THR . 15.7 t70 -102.25 114.31 28.35 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.625 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -14.52 59.32 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1600 ' ' SER . 93.6 mt-30 -73.5 -48.48 33.01 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.938 0.399 . . . . 0.0 110.604 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.615 ' HA ' HD23 ' A' 1604 ' ' LEU . 5.5 t -90.15 -6.5 55.29 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' 1600 ' ' SER . 8.8 t 61.14 27.29 17.09 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 109.459 177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.432 HG23 ' HG3' ' A' 1607 ' ' LYS . 32.7 m -105.17 136.07 45.34 Favored 'General case' 0 N--CA 1.421 -1.904 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.565 -172.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.0 mp -95.33 124.77 39.54 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.85 119.97 39.77 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.385 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.821 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.4 m-85 -116.02 146.84 41.82 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.24 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -126.57 139.26 53.33 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.1 t90 -134.48 121.9 21.71 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1615 ' ' ARG . 31.1 m170 -87.06 116.33 25.05 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 6.7 t -142.89 143.57 25.92 Favored Pre-proline 0 C--N 1.293 -1.85 0 CA-C-O 121.009 0.433 . . . . 0.0 109.855 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.3 Cg_exo -72.81 -12.12 26.21 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.293 2.662 . . . . 0.0 110.775 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.33 -9.09 59.74 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.254 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -100.6 8.19 43.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.88 0.372 . . . . 0.0 111.315 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.48 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 77.4 m -82.29 119.76 24.53 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.308 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.4 76.36 9.08 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 123.007 1.384 . . . . 0.0 109.67 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.32 164.68 14.46 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.339 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -85.4 95.72 9.34 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 121.735 -0.603 . . . . 0.0 111.239 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 46.9 m 58.79 62.42 1.92 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 122.084 0.945 . . . . 0.0 111.627 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -110.37 10.58 23.42 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 122.457 1.123 . . . . 0.0 108.063 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.03 -22.46 65.88 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.033 -1.44 . . . . 0.0 112.695 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 45.7 m80 -86.6 134.89 33.6 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -84.7 -17.47 38.33 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -108.52 136.86 47.43 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.378 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 3.9 p -78.73 81.41 5.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 121.847 0.832 . . . . 0.0 110.353 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.669 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.6 pt20 -132.57 145.08 50.84 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.304 -176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.6 p -141.78 142.7 28.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.6 m -107.95 138.76 43.63 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.772 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 44.1 t30 -94.33 108.37 35.75 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.38 -11.86 27.78 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.154 2.569 . . . . 0.0 113.733 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 25.9 t -83.25 -53.11 6.0 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.428 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 61.2 p -91.96 -15.96 27.26 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 111.572 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.19 23.25 76.39 Favored Glycine 0 N--CA 1.439 -1.149 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' 1648 ' ' LEU . 34.9 t-80 -100.02 141.21 33.16 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -98.7 125.45 44.01 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.772 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 56.8 m-85 -103.52 112.26 25.08 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -121.47 126.9 50.4 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.67 23.96 11.25 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.006 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.9 m -55.83 -29.34 59.64 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.293 1.437 . . . . 0.0 112.026 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 31.2 m -70.13 -20.5 63.16 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.001 0.429 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.428 ' O ' ' HB ' ' A' 1552 ' ' ILE . 93.6 mt -92.54 14.47 16.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.014 0.525 . . . . 0.0 112.369 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.4 p -66.39 34.12 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -73.55 84.94 0.63 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.19 -9.83 58.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.799 0.84 . . . . 0.0 110.922 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.13 69.88 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.415 0.626 . . . . 0.0 110.235 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.11 100.77 2.67 Favored Glycine 0 N--CA 1.433 -1.511 0 C-N-CA 120.516 -0.85 . . . . 0.0 113.952 175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -68.17 128.86 38.1 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' 1548 ' ' VAL . 10.6 m -102.38 107.98 19.16 Favored 'General case' 0 C--N 1.272 -2.774 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.162 -172.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.5 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -92.39 87.53 6.05 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.703 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -83.09 96.24 8.32 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.312 -177.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 1.8 p90 -89.79 -10.32 45.94 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.872 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -127.52 161.86 27.78 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -79.85 107.74 12.87 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.61 -10.32 38.45 Favored Glycine 0 C--N 1.294 -1.755 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.764 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.583 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 29.7 p-90 -157.88 159.72 36.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 117.573 0.686 . . . . 0.0 111.382 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -161.65 -165.25 18.17 Favored Glycine 0 N--CA 1.415 -2.703 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.776 HG21 ' HZ ' ' A' 1638 ' ' PHE . 70.3 t -94.9 120.38 44.24 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 C-N-CA 122.759 0.424 . . . . 0.0 110.392 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 93.9 m-85 -92.06 93.75 8.9 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -116.25 140.57 49.18 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.397 0.618 . . . . 0.0 111.84 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 50.2 m -117.82 131.37 56.57 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.572 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.3 mm -87.08 113.57 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 7.5 p 44.33 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.722 1.264 . . . . 0.0 113.889 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.78 115.67 1.01 Allowed Glycine 0 N--CA 1.424 -2.111 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.2 pt-20 -56.74 123.81 16.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.973 0.892 . . . . 0.0 113.289 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.685 ' HB3' HG13 ' A' 1563 ' ' VAL . 25.4 t-20 -65.53 128.92 37.86 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 112.916 -1.947 . . . . 0.0 112.409 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -84.36 -15.87 44.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.132 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . 0.442 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 5.7 t30 -67.14 -36.53 82.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.958 ' HB2' HG11 ' A' 1563 ' ' VAL . 81.0 m -115.32 -177.56 0.45 Allowed Pre-proline 0 C--N 1.301 -1.534 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 68.9 Cg_exo -49.33 128.24 19.75 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.626 2.217 . . . . 0.0 112.128 173.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.9 Cg_endo -50.75 126.74 19.1 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.079 3.186 . . . . 0.0 113.053 -176.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.5 -28.04 5.6 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 -178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.03 155.19 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -120.05 -21.26 3.51 Favored Glycine 0 N--CA 1.439 -1.147 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.394 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -150.04 135.88 18.51 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 122.583 -0.363 . . . . 0.0 110.434 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 47.5 m -117.53 128.36 54.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.619 ' HB2' HG22 ' A' 1574 ' ' VAL . 27.6 t80 -98.27 124.02 42.66 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.583 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 77.73 174.18 41.68 Favored Glycine 0 N--CA 1.422 -2.27 0 C-N-CA 120.081 -1.056 . . . . 0.0 112.59 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -91.11 -19.04 23.56 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 114.868 -0.666 . . . . 0.0 110.466 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 22.5 p -67.2 -82.48 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -169.45 25.43 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 51.5 mt -82.84 109.7 17.02 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 C-N-CA 119.003 -1.079 . . . . 0.0 110.106 -176.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 4.8 p -83.81 123.25 29.7 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' 1567 ' ' PHE . 22.0 t -87.04 -29.1 5.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-O 121.86 0.838 . . . . 0.0 109.352 -176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 170.02 166.64 29.3 Favored Glycine 0 N--CA 1.414 -2.8 0 C-N-CA 119.831 -1.176 . . . . 0.0 111.84 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 58.5 mttp -87.94 156.1 19.51 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 123.442 0.697 . . . . 0.0 110.778 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.62 81.03 2.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -173.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -76.19 122.97 25.11 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.564 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -94.67 22.87 5.84 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.527 0.68 . . . . 0.0 111.97 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -91.17 89.9 7.56 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.122 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.4 tp -79.02 130.34 35.42 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.174 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 98.4 mtt180 -117.86 165.49 13.6 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.641 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -133.31 107.62 8.23 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 34.3 m -138.49 145.32 28.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 C-N-CA 123.386 0.675 . . . . 0.0 109.935 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.43 39.36 16.34 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.493 1.117 . . . . 0.0 111.407 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 65.12 22.53 12.3 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.875 1.27 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 18.9 m -135.88 161.23 38.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.915 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.61 139.51 30.64 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 36.0 tt0 -121.65 128.05 51.46 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 120.814 0.34 . . . . 0.0 111.711 -176.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 13.4 mt -126.22 129.1 48.31 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.714 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.6 p -123.0 125.25 71.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.723 -177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -112.1 110.38 20.63 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.423 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -117.05 -174.72 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 65.09 26.05 12.53 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.637 1.175 . . . . 0.0 113.089 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -93.1 -72.5 1.2 Allowed Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 119.169 -1.491 . . . . 0.0 110.67 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.52 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 23.1 t -105.76 131.77 21.46 Favored Pre-proline 0 C--N 1.296 -1.746 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' 1596 ' ' SER . 4.6 Cg_exo -78.22 48.16 2.61 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 124.793 3.662 . . . . 0.0 112.344 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.496 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 52.8 t -34.32 111.37 0.4 Allowed Pre-proline 0 N--CA 1.487 1.407 0 C-N-CA 126.38 1.872 . . . . 0.0 113.293 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.8 Cg_exo -77.17 115.32 3.95 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.523 2.815 . . . . 0.0 111.449 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.4 t -151.84 -166.06 2.4 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 0.8 OUTLIER -59.59 -47.82 84.07 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.001 0.52 . . . . 0.0 110.029 -179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' 1604 ' ' LEU . 6.2 m -95.04 -36.73 11.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 176.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 68.53 50.05 40.02 Favored Glycine 0 C--O 1.248 0.976 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.332 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.524 ' H ' HD22 ' A' 1604 ' ' LEU . 1.4 mm? -72.75 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.327 0.584 . . . . 0.0 111.123 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 19.0 p -167.04 156.52 10.73 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.0 t80 -81.84 47.58 1.11 Allowed 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.6 pttm -58.71 152.68 18.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.529 ' HB2' HG11 ' A' 1574 ' ' VAL . 36.9 t -118.84 135.16 54.69 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.799 176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 83.7 t -118.13 113.18 41.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -97.22 122.13 48.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -110.86 113.03 25.29 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.915 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 81.0 m-85 -90.96 113.15 25.31 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.412 -177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 43.0 t -100.75 136.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 C-N-CA 123.49 0.716 . . . . 0.0 109.199 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 6.6 t -64.13 120.83 12.83 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 124.222 1.009 . . . . 0.0 112.338 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' 1618 ' ' ALA . 55.2 ttp180 -152.38 99.82 2.83 Favored Pre-proline 0 N--CA 1.432 -1.349 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 52.1 Cg_exo -58.8 -19.12 45.08 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.883 2.389 . . . . 0.0 112.291 176.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.95 -2.6 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.236 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.6 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -79.86 42.09 0.53 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.88 -71.54 1.04 Allowed Glycine 0 N--CA 1.434 -1.468 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.03 -3.36 9.66 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.338 2.025 . . . . 0.0 112.178 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.6 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 22.1 p -109.95 30.97 6.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.851 0.834 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.61 74.92 8.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.305 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -144.48 155.25 57.22 Favored Pre-proline 0 C--N 1.311 -1.078 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 72.1 Cg_endo -83.12 145.02 12.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.766 2.31 . . . . 0.0 112.385 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 52.7 ttp -132.72 126.6 32.87 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.409 HD21 HD23 ' A' 1629 ' ' LEU . 54.9 tp -80.25 117.13 20.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 44.1 mm -88.55 -54.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.267 -176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.5 t -149.9 154.66 38.7 Favored 'General case' 0 N--CA 1.425 -1.686 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.555 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -117.53 104.38 11.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 178.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.726 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.3 t70 -75.41 113.17 12.5 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.609 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.88 -12.69 59.73 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.807 -179.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -80.95 -63.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 12.9 t -97.38 6.08 48.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.205 1.002 . . . . 0.0 109.664 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 67.5 m 60.64 76.75 0.35 Allowed 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.641 -1.618 . . . . 0.0 109.95 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' 1607 ' ' LYS . 52.2 m -140.68 124.35 17.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -87.03 113.77 23.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.893 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.726 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 87.9 m-85 -92.96 114.37 26.91 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.776 ' HZ ' HG21 ' A' 1548 ' ' VAL . 63.7 m-85 -112.6 141.55 46.24 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.872 0.368 . . . . 0.0 111.378 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.5 t -115.72 124.12 50.03 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.542 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.1 t90 -123.48 116.67 23.59 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -91.21 122.96 34.29 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -143.0 145.05 31.53 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.074 -176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.7 Cg_exo -74.03 -12.6 23.71 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.169 2.58 . . . . 0.0 111.08 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.6 -7.82 59.39 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.403 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.51 -1.62 46.85 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.364 0.602 . . . . 0.0 110.649 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.457 ' O ' ' HE1' ' A' 1527 ' ' PHE . 74.3 m -75.54 127.85 34.01 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.89 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.46 76.39 0.77 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.936 1.35 . . . . 0.0 110.584 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' 1525 ' ' HIS . 63.2 mt -80.79 153.24 27.85 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.451 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . 0.586 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.293 -1.875 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.507 -0.705 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.32 128.09 11.7 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 31.6 t 80.04 -38.6 0.17 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.373 1.069 . . . . 0.0 110.786 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -94.88 35.92 1.23 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.849 1.309 . . . . 0.0 108.165 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -94.35 -32.46 13.59 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.99 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -117.26 111.5 19.5 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.744 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.651 ' HB3' ' HE2' ' A' 1579 ' ' LYS . 29.8 m-20 -105.43 20.44 18.88 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.641 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 84.4 m -86.72 72.62 10.16 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 122.975 1.369 . . . . 0.0 112.284 -177.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -140.38 135.8 32.48 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 112.664 -2.062 . . . . 0.0 106.448 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -132.85 141.6 44.51 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 31.8 m -98.48 130.31 45.08 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.906 0.384 . . . . 0.0 110.284 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.592 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.7 t30 -88.32 115.11 62.28 Favored Pre-proline 0 C--N 1.309 -1.17 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.23 -10.95 30.5 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.753 2.302 . . . . 0.0 112.586 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . 0.423 ' HB3' HD21 ' A' 1520 ' ' ASN . 32.0 t -82.56 -57.03 3.52 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.379 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.9 p -97.83 -11.49 23.24 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.84 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 75.19 16.4 80.62 Favored Glycine 0 C--O 1.24 0.481 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.223 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -94.51 141.01 29.08 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.0 tm? -95.46 116.18 28.46 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.592 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 24.0 m-85 -92.45 106.52 18.5 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' 1526 ' ' LEU . 13.3 t70 -111.47 123.76 50.87 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.963 -178.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.3 mt -102.73 24.89 9.89 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 50.9 m -56.44 -34.65 67.02 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 47.9 m -67.78 -18.86 65.0 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.706 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.61 ' O ' ' HB ' ' A' 1552 ' ' ILE . 89.3 mt -92.88 13.29 20.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.606 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' 1552 ' ' ILE . 17.6 t -76.72 33.02 0.14 Allowed 'General case' 0 CA--C 1.563 1.463 0 CA-C-O 120.971 0.415 . . . . 0.0 111.716 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -67.48 97.56 0.4 Allowed Glycine 0 C--O 1.243 0.706 0 N-CA-C 111.804 -0.518 . . . . 0.0 111.804 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.7 ptt-85 -71.22 -9.73 58.58 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.882 0.873 . . . . 0.0 112.478 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.24 -32.62 70.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.29 100.43 2.64 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.287 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -63.91 131.83 48.91 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' 1548 ' ' VAL . 12.8 m -101.69 107.68 18.98 Favored 'General case' 0 C--N 1.286 -2.195 0 CA-C-O 121.392 0.615 . . . . 0.0 111.945 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -85.14 80.87 9.08 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -85.83 98.21 10.63 Favored 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.17 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' A' 1542 ' ' TYR . 2.0 p90 -86.21 -9.2 57.01 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.818 0.818 . . . . 0.0 109.229 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.02 150.15 49.09 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -79.11 121.4 24.94 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.112 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.32 -29.58 6.94 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.722 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.149 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -164.02 -167.96 25.32 Favored Glycine 0 N--CA 1.419 -2.484 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.86 HG21 ' HZ ' ' A' 1638 ' ' PHE . 56.3 t -95.09 122.72 46.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 C-N-CA 122.778 0.431 . . . . 0.0 110.237 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 76.4 m-85 -97.38 91.88 5.7 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.461 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.3 ptp -109.64 144.32 38.15 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.186 0.517 . . . . 0.0 112.149 -176.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.2 m -115.57 121.99 44.3 Favored 'General case' 0 C--N 1.284 -2.279 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.625 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -78.53 99.38 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.53 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 35.2 t 62.89 88.78 0.09 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.485 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.37 115.52 1.07 Allowed Glycine 0 N--CA 1.422 -2.295 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.668 ' HB2' ' H ' ' A' 1562 ' ' GLY . 8.9 pt-20 -52.03 121.38 6.64 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.754 0.788 . . . . 0.0 112.672 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.641 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.6 t-20 -62.95 130.14 43.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.408 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -84.84 -18.13 35.85 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 45.9 t30 -66.55 -47.06 74.05 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.74 0.781 . . . . 0.0 109.486 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.954 ' HB2' HG11 ' A' 1563 ' ' VAL . 64.8 m -96.55 171.59 6.01 Favored Pre-proline 0 C--N 1.287 -2.133 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.44 ' HG2' ' NH2' ' A' 1571 ' ' ARG . 72.9 Cg_exo -49.31 132.78 29.55 Favored 'Trans proline' 0 C--O 1.25 1.114 0 C-N-CA 122.728 2.286 . . . . 0.0 112.281 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 51.4 Cg_exo -53.63 128.29 28.87 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 124.156 3.237 . . . . 0.0 112.778 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.668 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.22 -21.89 7.22 Favored Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -77.39 146.4 8.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.0 -26.75 5.65 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.301 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 1550 ' ' MET . . . -149.17 135.68 19.42 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.2 m -114.93 157.29 23.57 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.554 ' O ' ' HB ' ' A' 1572 ' ' ILE . 7.4 t80 -142.56 150.79 40.84 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.18 178.52 51.09 Favored Glycine 0 N--CA 1.429 -1.77 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.952 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -91.62 -19.76 22.36 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.275 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.4 p -80.95 -83.39 0.11 Allowed 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1571 ' ' ARG . 57.7 ttt180 -169.75 33.46 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 121.745 0.784 . . . . 0.0 109.834 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' 1567 ' ' PHE . 70.6 mt -69.56 116.52 10.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 O-C-N 121.452 -0.78 . . . . 0.0 109.765 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.2 m -89.82 125.92 35.5 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' 1567 ' ' PHE . 13.8 t -91.02 -28.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-O 121.825 0.821 . . . . 0.0 108.924 -178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -178.89 158.63 23.03 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 118.888 -1.625 . . . . 0.0 113.423 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.5 tptt -73.8 142.78 46.16 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -71.08 84.47 0.71 Allowed 'General case' 0 C--N 1.309 -1.179 0 CA-C-O 121.361 0.601 . . . . 0.0 110.999 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.17 97.88 9.62 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 174.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.651 ' HE2' ' HB3' ' A' 1514 ' ' ASP 0.292 23.3 pttm -90.02 64.62 6.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 123.099 1.428 . . . . 0.0 113.385 -174.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -123.03 99.67 6.49 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.159 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' 1588 ' ' LEU . 59.4 tp -78.16 136.33 37.82 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.684 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -125.1 158.18 34.49 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' 1588 ' ' LEU . 56.2 t80 -123.57 107.43 11.52 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.1 m -138.03 126.49 31.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.761 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 53.24 58.81 4.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.098 0.959 . . . . 0.0 112.193 172.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 61.44 21.88 12.4 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -144.36 152.97 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 CA-C-O 121.23 0.538 . . . . 0.0 109.918 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.8 mt -90.92 134.31 34.56 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 172.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.47 128.75 54.9 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.375 0.607 . . . . 0.0 112.362 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 19.5 mt -123.85 125.22 44.28 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.019 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.456 HG23 HG22 ' A' 1609 ' ' VAL . 8.2 p -122.68 117.5 52.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-O 121.789 0.804 . . . . 0.0 110.985 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.443 ' HB2' ' OG ' ' A' 1608 ' ' SER . 25.0 m-85 -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.193 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.7 178.85 4.19 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.3 m-20 65.73 27.82 11.14 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.608 1.163 . . . . 0.0 113.602 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -84.98 -72.57 1.29 Allowed Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 118.715 -1.707 . . . . 0.0 111.335 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.484 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 37.6 t -105.28 135.76 19.29 Favored Pre-proline 0 C--N 1.291 -1.944 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' 1596 ' ' SER . 2.7 Cg_exo -76.96 47.77 2.3 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 C-N-CA 124.539 3.492 . . . . 0.0 112.461 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t -36.47 112.32 0.53 Allowed Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.513 1.925 . . . . 0.0 113.133 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 15.0 Cg_exo -70.14 119.47 6.39 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.979 2.453 . . . . 0.0 109.928 176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.0 t -151.64 -159.48 1.03 Allowed 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -62.51 -48.64 78.65 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 122.941 0.497 . . . . 0.0 109.805 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -105.36 -36.48 7.17 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.469 178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.18 48.46 5.69 Favored Glycine 0 CA--C 1.502 -0.754 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.69 174.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.2 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.9 p -168.16 160.47 11.76 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.566 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 17.5 t80 -80.04 47.58 0.9 Allowed 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 124.906 1.282 . . . . 0.0 109.909 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' 1635 ' ' THR . 22.8 pttm -61.14 159.21 12.32 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -173.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.453 ' HB3' HG11 ' A' 1574 ' ' VAL . 12.7 p -123.64 138.19 54.59 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.058 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.456 HG22 HG23 ' A' 1591 ' ' VAL . 89.7 t -122.61 108.37 21.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-O 121.387 0.613 . . . . 0.0 109.659 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 17.9 mt -91.99 116.27 32.79 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.429 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 30.4 p -106.89 113.26 26.64 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.826 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -85.45 110.39 19.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 26.0 t -101.1 137.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -64.0 130.96 46.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.054 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 37.9 ttm180 -161.86 103.44 1.16 Allowed Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.769 171.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.0 Cg_exo -61.32 -22.3 74.21 Favored 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 122.577 2.184 . . . . 0.0 112.473 177.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.48 21.53 6.14 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.451 0.643 . . . . 0.0 111.025 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.38 42.33 1.09 Allowed 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -67.19 -74.35 0.57 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.198 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.28 -8.74 11.7 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.308 2.005 . . . . 0.0 113.045 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.3 t -102.09 21.45 14.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.465 1.126 . . . . 0.0 109.021 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -82.04 74.27 9.03 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -150.94 159.93 33.01 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -173.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 59.3 Cg_endo -84.8 134.24 5.32 Favored 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 122.052 1.834 . . . . 0.0 110.34 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 47.2 ttp -126.95 123.79 37.99 Favored 'General case' 0 C--N 1.282 -2.332 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.574 HD21 HD23 ' A' 1629 ' ' LEU . 56.1 tp -73.4 118.49 16.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.219 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.4 -46.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 120.932 0.396 . . . . 0.0 110.864 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.3 t -146.9 146.08 30.03 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.574 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.4 101.67 10.36 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 178.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.636 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 26.2 t70 -84.24 114.04 21.53 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 121.341 0.591 . . . . 0.0 111.633 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -9.31 59.71 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.083 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.86 -47.95 23.42 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 111.646 -173.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 9.4 t -119.6 9.72 11.56 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 122.035 0.921 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.566 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.1 m 59.13 79.43 0.22 Allowed 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 113.823 -1.535 . . . . 0.0 109.95 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' 1607 ' ' LYS . 73.5 m -140.55 128.08 21.45 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.375 0.607 . . . . 0.0 112.446 -176.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.9 mp -92.91 114.57 27.17 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.636 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 79.6 m-85 -90.89 119.0 30.73 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 -178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.86 ' HZ ' HG21 ' A' 1548 ' ' VAL . 96.5 m-85 -114.87 139.14 50.01 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.891 0.377 . . . . 0.0 111.704 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 35.4 t -115.04 118.63 33.93 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -108.87 128.2 54.71 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.59 111.27 22.51 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -142.77 139.59 17.3 Favored Pre-proline 0 C--N 1.303 -1.418 0 CA-C-O 121.503 0.668 . . . . 0.0 111.734 -178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.513 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 5.2 Cg_exo -75.99 -12.44 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.201 2.601 . . . . 0.0 111.078 175.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.13 -14.64 59.77 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.84 9.34 42.12 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.293 0.568 . . . . 0.0 110.464 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 99.6 m -85.24 133.16 34.18 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.639 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.48 77.17 4.97 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 122.685 1.231 . . . . 0.0 111.448 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.38 165.28 12.65 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.95 173.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.123 0.487 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -130.4 101.79 5.9 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.687 -174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.831 ' HB2' ' HB3' ' A' 1578 ' ' ASN . 62.4 m -100.46 57.88 0.94 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.724 0.773 . . . . 0.0 110.395 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -96.62 -5.65 38.55 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.5 -18.09 58.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.463 -173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.488 ' O ' ' HD2' ' A' 1579 ' ' LYS . 44.2 m-70 -92.13 147.7 22.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.1 t70 -105.67 -12.03 16.08 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.306 1.05 . . . . 0.0 108.188 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -105.07 159.18 16.03 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.391 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 49.7 t -132.07 78.24 1.8 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 175.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.406 ' HA ' HD23 ' A' 1581 ' ' LEU . 3.7 pt20 -146.76 158.47 43.92 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.563 -174.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 12.7 p -148.6 146.7 17.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 33.8 m -102.5 135.79 43.5 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 122.106 -0.371 . . . . 0.0 110.022 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.7 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.8 t30 -79.78 113.55 38.6 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 174.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -66.11 -11.59 31.83 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.952 2.434 . . . . 0.0 113.116 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.7 m -87.61 -60.9 1.85 Allowed 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 71.9 p -88.83 -15.8 33.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.544 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 80.28 12.23 83.39 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.848 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.47 138.89 31.09 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -94.93 116.77 29.12 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.7 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 42.1 m-85 -92.94 106.92 18.81 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 25.3 t70 -106.8 113.22 26.59 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.747 0.308 . . . . 0.0 110.182 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.3 mt -102.75 15.02 30.5 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 120.993 0.425 . . . . 0.0 110.621 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.2 m -60.86 -22.95 64.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.9 m -76.04 -13.03 60.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.261 0.553 . . . . 0.0 111.028 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' 1552 ' ' ILE . 94.2 mt -92.35 13.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' 1552 ' ' ILE . 37.0 p -77.2 32.92 0.15 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.4 93.02 0.52 Allowed Glycine 0 N--CA 1.433 -1.513 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.438 ' HA ' ' OG ' ' A' 1551 ' ' SER . 31.9 ptt180 -67.15 -8.61 32.4 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 123.998 0.919 . . . . 0.0 112.777 -174.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.93 67.8 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 112.013 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.52 100.21 2.36 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 113.783 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.02 137.45 45.39 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 7.9 m -105.68 109.62 21.65 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.502 -173.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.86 94.87 6.27 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -96.32 106.76 19.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.187 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 4.7 p90 -87.7 -12.06 46.45 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.647 0.737 . . . . 0.0 109.832 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.62 151.39 49.28 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -79.46 124.01 28.07 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.75 -17.25 13.49 Favored Glycine 0 N--CA 1.431 -1.637 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.108 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.707 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.3 p-90 -172.26 138.62 0.97 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.162 0.506 . . . . 0.0 110.756 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -139.86 -167.05 10.87 Favored Glycine 0 N--CA 1.427 -1.947 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.627 HG21 ' HZ ' ' A' 1638 ' ' PHE . 50.9 t -106.41 123.06 60.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 C-N-CA 123.205 0.602 . . . . 0.0 110.834 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.514 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 69.5 m-85 -99.68 100.64 11.65 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -117.33 153.91 32.18 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 40.9 t -121.39 145.74 47.6 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.594 HD12 ' HZ ' ' A' 1612 ' ' PHE . 48.7 mm -99.1 100.03 9.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 75.6 m 59.02 89.98 0.05 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 123.797 0.686 . . . . 0.0 111.251 -177.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.68 117.33 1.14 Allowed Glycine 0 CA--C 1.493 -1.327 0 C-N-CA 119.695 -1.241 . . . . 0.0 110.815 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.637 ' HB3' ' H ' ' A' 1562 ' ' GLY . 26.9 mt-10 -49.2 116.92 1.88 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 124.302 1.041 . . . . 0.0 111.789 -177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.43 ' HB3' HG13 ' A' 1563 ' ' VAL . 51.2 t-20 -67.04 129.44 39.9 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 124.501 1.12 . . . . 0.0 110.105 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.18 -12.52 54.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.2 -31.71 72.7 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 121.93 0.872 . . . . 0.0 110.706 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.959 ' HB2' HG11 ' A' 1563 ' ' VAL . 80.1 m -120.49 174.85 2.66 Favored Pre-proline 0 C--N 1.289 -2.062 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.628 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.7 Cg_endo -48.61 127.78 16.92 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.645 2.23 . . . . 0.0 111.451 174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 9.2 Cg_endo -51.32 132.48 39.63 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.463 2.775 . . . . 0.0 112.097 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.637 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 124.45 -28.8 5.19 Favored Glycine 0 C--N 1.3 -1.43 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.959 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.0 p -77.23 149.91 6.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.31 -30.73 3.26 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.184 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -140.01 135.99 33.25 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.514 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 63.4 m -116.62 140.59 49.23 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.53 ' HB2' HG22 ' A' 1574 ' ' VAL . 0.7 OUTLIER -113.97 137.5 51.62 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.707 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 82.5 174.19 49.78 Favored Glycine 0 N--CA 1.422 -2.244 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.398 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -82.15 -19.58 39.66 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 122.661 -0.317 . . . . 0.0 111.741 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 41.2 p -81.84 -83.92 0.12 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.528 ' NH2' ' HG3' ' A' 1560 ' ' PRO . 17.7 ptm180 -170.12 32.31 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.15 108.38 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.976 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 m -68.77 120.24 14.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' 1567 ' ' PHE . 26.1 t -92.18 -29.57 4.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -177.61 158.97 24.62 Favored Glycine 0 N--CA 1.419 -2.477 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.835 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 10.3 mtmp? -87.13 151.36 23.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.491 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -79.38 124.74 28.72 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.926 -174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . 0.831 ' HB3' ' HB2' ' A' 1510 ' ' SER . 37.0 m-80 -127.27 144.2 51.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.488 ' HD2' ' O ' ' A' 1513 ' ' HIS . 96.0 mttt -106.33 60.31 0.64 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.802 0.81 . . . . 0.0 109.297 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -130.67 88.7 2.66 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.327 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -77.91 125.73 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.703 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -112.55 162.95 15.07 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.4 t80 -127.45 108.8 11.13 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.6 m -136.15 138.02 47.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.256 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 47.05 49.11 15.23 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.385 1.074 . . . . 0.0 111.778 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.464 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 45.7 mt-30 61.25 23.29 13.53 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.413 -1.267 . . . . 0.0 114.258 177.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.4 m -135.98 159.69 39.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.3 mt -90.98 137.13 32.6 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -122.34 133.54 54.66 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.823 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' 1590 ' ' LEU . 23.1 mt -127.53 114.96 18.12 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.636 171.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.3 p -114.92 120.18 63.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 CA-C-O 121.898 0.856 . . . . 0.0 111.627 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -107.36 107.38 18.26 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.017 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 177.65 4.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.956 0.408 . . . . 0.0 111.223 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.8 m-20 50.91 45.01 28.09 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 125.736 1.614 . . . . 0.0 115.32 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -95.86 -71.86 1.11 Allowed Glycine 0 N--CA 1.429 -1.799 0 N-CA-C 108.683 -1.767 . . . . 0.0 108.683 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' 1606 ' ' TYR . 29.3 t -98.73 132.35 24.06 Favored Pre-proline 0 C--N 1.291 -1.937 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -82.23 48.86 2.94 Favored 'Trans proline' 0 N--CA 1.444 -1.406 0 C-N-CA 123.573 2.849 . . . . 0.0 112.661 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 53.2 t -49.37 128.58 17.41 Favored Pre-proline 0 C--O 1.242 0.665 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.348 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 13.9 Cg_exo -70.68 90.63 0.61 Allowed 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 122.798 2.332 . . . . 0.0 110.207 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.447 ' HB2' ' H ' ' A' 1604 ' ' LEU . 1.8 m -84.01 179.09 7.61 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.315 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -63.64 -52.14 62.12 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 m -94.33 5.14 52.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.556 0.693 . . . . 0.0 111.232 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 69.25 48.8 43.62 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 115.298 -0.864 . . . . 0.0 113.474 174.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' ' HB2' ' A' 1600 ' ' SER . 1.8 mm? -78.04 -97.24 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.592 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 1634 ' ' CYS . 6.9 m -167.81 174.13 7.79 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.529 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -87.76 47.68 1.54 Allowed 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' 1635 ' ' THR . 21.7 pttp -60.81 145.56 49.4 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.373 1.469 . . . . 0.0 114.512 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.4 t -111.94 134.6 53.39 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.496 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 96.2 t -120.27 113.24 39.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.0 mt -94.88 114.66 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 6.0 p -105.99 116.83 32.62 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.81 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.8 m-85 -89.51 119.97 30.41 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.116 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 54.6 t -111.97 137.5 44.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 21.6 t -57.4 122.38 12.46 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.754 0.822 . . . . 0.0 111.995 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.37 99.12 3.42 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -66.23 -14.65 45.22 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.38 2.054 . . . . 0.0 112.464 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -99.27 18.7 16.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.287 0.565 . . . . 0.0 110.066 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -83.67 41.66 0.8 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.87 -70.31 1.26 Allowed Glycine 0 C--N 1.297 -1.603 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.605 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.02 -3.34 8.84 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 122.644 2.229 . . . . 0.0 111.848 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 8.1 p -112.12 23.11 14.07 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.4 t-20 -83.38 66.86 9.05 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -141.31 153.89 66.72 Favored Pre-proline 0 C--N 1.295 -1.762 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 70.8 Cg_endo -84.38 134.11 5.67 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 122.055 1.837 . . . . 0.0 110.583 175.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.1 ttp -123.41 129.24 50.99 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.52 HD21 HD23 ' A' 1629 ' ' LEU . 51.3 tp -73.62 120.87 19.82 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.02 -54.29 7.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.609 -176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 49.8 m -150.52 158.62 44.36 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.523 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -122.01 105.36 10.23 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -178.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.528 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 11.3 t70 -85.81 111.15 19.91 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.678 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.15 -15.54 57.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -77.87 -51.73 9.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.784 0.326 . . . . 0.0 111.066 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.4 t -100.95 9.61 42.07 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.487 1.137 . . . . 0.0 108.986 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.529 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 70.9 m 49.35 60.37 3.81 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-N 113.366 -1.743 . . . . 0.0 111.161 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' 1607 ' ' LYS . 46.0 m -125.05 129.91 51.23 Favored 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.4 mp -93.68 110.78 22.38 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.314 176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.528 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 67.0 m-85 -90.46 115.88 27.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.627 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.5 m-85 -111.81 139.93 46.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 120.912 0.386 . . . . 0.0 111.005 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 39.3 t -113.37 116.95 30.47 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -104.8 114.6 28.91 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -82.54 112.2 19.23 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 3.9 t -142.84 142.88 23.48 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.478 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 4.0 Cg_exo -76.37 -12.51 18.89 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.176 2.584 . . . . 0.0 111.1 176.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.86 -9.76 59.58 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.464 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.98 9.18 43.34 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.063 0.458 . . . . 0.0 111.079 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 73.8 m -78.41 120.15 22.75 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.043 177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.0 OUTLIER -86.2 75.93 9.8 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 123.321 1.534 . . . . 0.0 110.637 -176.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.9 pp -115.35 167.56 10.75 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 113.355 -1.748 . . . . 0.0 109.265 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.752 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.496 0.188 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.0 tttm -129.02 5.14 5.34 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.82 0.819 . . . . 0.0 109.648 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.2 m 61.61 35.24 17.3 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.563 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' A' 1514 ' ' ASP . 3.3 t-20 -120.16 2.32 10.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.0 -42.37 48.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 113.887 -1.506 . . . . 0.0 107.35 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.1 m80 -117.99 98.9 6.57 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 169.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.513 ' HB2' ' HA ' ' A' 1511 ' ' ASN . 31.4 t70 -137.15 51.48 1.95 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 122.535 1.159 . . . . 0.0 108.38 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 128.58 45.76 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.864 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 33.4 t -83.88 66.87 9.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 121.98 0.895 . . . . 0.0 110.796 -175.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.651 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.7 pt20 -149.59 143.97 25.9 Favored 'General case' 0 N--CA 1.412 -2.327 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.298 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 13.1 p -140.38 140.21 34.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.8 m -101.12 129.63 47.04 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-O 120.945 0.402 . . . . 0.0 110.015 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.855 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 50.8 t30 -86.99 112.0 44.42 Favored Pre-proline 0 C--N 1.309 -1.189 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.04 -19.22 66.07 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.482 2.121 . . . . 0.0 113.071 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.2 m -75.12 -54.05 7.81 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.367 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 46.4 p -93.71 -22.8 18.5 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.151 0.5 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 88.89 2.57 78.1 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 1648 ' ' LEU . 28.7 t60 -76.41 137.33 39.68 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.339 0.656 . . . . 0.0 111.222 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.651 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -96.48 120.6 37.08 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.855 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.5 m-85 -96.13 111.79 23.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -114.95 117.44 30.65 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 94.8 mt -103.42 18.73 21.17 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.541 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 6.0 p -65.82 -19.82 66.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 24.7 m -72.74 -15.2 61.67 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.307 0.575 . . . . 0.0 110.929 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.52 14.5 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.96 0.409 . . . . 0.0 111.201 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 40.5 p -72.43 33.35 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.164 0.986 . . . . 0.0 113.416 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -69.6 87.69 0.27 Allowed Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.2 ptp180 -69.45 -9.51 54.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.42 69.77 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.17 0.509 . . . . 0.0 110.279 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.12 101.12 2.69 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.904 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.91 131.29 44.87 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 172.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.6 m -102.28 108.33 19.66 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -170.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.574 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -94.34 95.17 8.72 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 173.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.737 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -68.41 134.22 49.87 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.28 0.562 . . . . 0.0 112.003 -175.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.615 ' HD1' HD23 ' A' 1626 ' ' LEU . 90.7 t80 -98.79 -45.3 6.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.026 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.93 165.34 27.35 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -67.6 107.73 2.62 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.047 0.451 . . . . 0.0 111.637 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.53 -27.61 7.9 Favored Glycine 0 N--CA 1.43 -1.74 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.212 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.551 ' HB3' ' HG3' ' A' 1569 ' ' GLN . 16.9 p-90 -137.03 121.74 18.58 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 122.494 1.14 . . . . 0.0 112.633 -177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.737 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -135.44 -164.38 10.37 Favored Glycine 0 N--CA 1.412 -2.929 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.173 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.884 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -99.02 124.34 52.2 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 C-N-CA 123.574 0.749 . . . . 0.0 109.966 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 75.2 m-85 -97.62 92.67 6.01 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.414 ' HB3' HG12 ' A' 1548 ' ' VAL . 11.6 ptm -115.48 137.55 51.94 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.469 0.652 . . . . 0.0 112.092 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.0 m -115.04 132.21 56.67 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.612 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -89.64 106.79 17.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 68.2 m 57.3 88.57 0.05 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.126 0.891 . . . . 0.0 111.24 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.58 116.35 1.07 Allowed Glycine 0 N--CA 1.435 -1.4 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' A' 1562 ' ' GLY . 24.7 mt-10 -51.21 112.86 0.8 Allowed 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 124.59 1.156 . . . . 0.0 112.964 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.689 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.7 t-20 -59.94 129.09 40.08 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 125.207 1.403 . . . . 0.0 111.725 -177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' 1535 ' ' ARG . 13.0 pt-20 -85.27 -14.88 45.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . 0.462 ' HB3' ' OD1' ' A' 1556 ' ' ASN . 6.5 t30 -63.89 -40.65 97.0 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 121.383 0.611 . . . . 0.0 110.216 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.058 ' HB2' HG11 ' A' 1563 ' ' VAL . 75.3 m -109.52 179.08 0.89 Allowed Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 76.1 Cg_exo -54.43 127.89 27.83 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 121.759 1.639 . . . . 0.0 111.276 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 2.3 Cg_endo -44.27 129.91 8.52 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 124.757 3.638 . . . . 0.0 113.26 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.39 -22.71 6.96 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.058 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -78.9 154.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' 1577 ' ' ALA . . . -114.9 -25.49 3.89 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.668 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -148.5 135.9 20.42 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 61.7 m -117.41 157.16 26.68 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.542 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 2.9 t80 -139.26 144.44 38.4 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.88 178.33 51.09 Favored Glycine 0 N--CA 1.43 -1.726 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.747 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.551 ' HG3' ' HB3' ' A' 1546 ' ' TRP . 17.1 mt-30 -90.44 -20.68 22.48 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.247 0.546 . . . . 0.0 109.784 -177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 9.3 p -85.64 -82.95 0.18 Allowed 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.08 33.42 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.624 -174.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' 1567 ' ' PHE . 62.3 mt -72.61 123.66 27.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.778 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.6 m -95.27 128.27 41.98 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' 1608 ' ' SER . 11.1 t -95.2 -28.13 4.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.057 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.84 161.14 24.59 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 119.638 -1.268 . . . . 0.0 112.218 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.4 mmtt -81.04 147.76 30.01 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 123.42 0.688 . . . . 0.0 109.54 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' 1564 ' ' GLY . . . -84.5 113.03 20.92 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 120.936 0.398 . . . . 0.0 112.034 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.0 p30 -121.07 145.63 47.58 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1514 ' ' ASP . 60.1 mttp -101.25 30.44 4.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.82 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -82.98 78.05 9.62 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.751 0.786 . . . . 0.0 109.87 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' 1588 ' ' LEU . 54.0 tp -70.78 130.63 42.22 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.183 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -122.24 165.05 16.8 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.595 ' HD1' HD23 ' A' 1588 ' ' LEU . 88.9 t80 -130.58 107.27 9.07 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 173.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.3 m -138.97 136.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.027 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 24.4 t70 54.03 49.47 18.8 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 124.207 1.003 . . . . 0.0 110.973 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 60.8 23.69 13.64 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.248 -1.342 . . . . 0.0 114.054 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 35.6 m -142.32 161.51 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.883 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.4 mt -90.37 137.49 32.31 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.78 132.29 54.16 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 120.07 -0.652 . . . . 0.0 111.641 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.29 123.49 39.58 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.557 -1.202 . . . . 0.0 108.353 172.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -119.12 114.7 45.5 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 CA-C-O 121.675 0.75 . . . . 0.0 110.335 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.82 108.1 20.7 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 173.98 6.08 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.2 t70 48.14 62.14 2.65 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 125.975 1.71 . . . . 0.0 114.17 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.28 -71.18 0.86 Allowed Glycine 0 C--O 1.223 -0.547 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.995 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.9 t -114.02 138.92 23.06 Favored Pre-proline 0 C--N 1.291 -1.948 0 N-CA-C 107.049 -1.464 . . . . 0.0 107.049 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.44 47.79 2.67 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.48 2.787 . . . . 0.0 113.194 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 42.1 t -46.71 130.57 8.44 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.114 0.966 . . . . 0.0 111.08 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.12 90.12 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.957 2.438 . . . . 0.0 111.785 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' 1633 ' ' THR . 4.0 m -86.55 -176.71 5.95 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.26 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -48.51 67.54 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.488 ' HB2' HD21 ' A' 1604 ' ' LEU . 23.2 m -91.47 0.7 57.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.399 0.619 . . . . 0.0 111.295 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 70.65 49.47 30.06 Favored Glycine 0 C--O 1.22 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.88 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' 1602 ' ' SER . 2.1 mm? -79.83 -97.95 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 20.9 m -167.23 168.35 13.46 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' A' 1567 ' ' PHE . 5.6 t80 -86.64 47.91 1.56 Allowed 'General case' 0 C--O 1.204 -1.323 0 C-N-CA 124.292 1.037 . . . . 0.0 108.353 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' 1635 ' ' THR . 55.7 pttt -66.36 157.93 30.53 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 125.058 1.343 . . . . 0.0 114.074 -172.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -118.71 134.16 55.33 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.447 -177.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 94.8 t -118.82 114.99 46.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 18.5 mt -101.73 120.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 56.9 p -106.4 117.09 33.14 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.883 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 88.9 m-85 -91.7 113.93 26.33 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 41.6 t -103.61 138.73 26.87 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.95 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 12.4 t -64.56 128.42 35.69 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.474 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -157.84 95.75 1.99 Allowed Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 51.7 Cg_exo -60.81 -18.4 56.11 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.769 2.312 . . . . 0.0 112.115 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -87.87 4.98 42.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.608 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -91.52 41.84 1.08 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.51 -67.17 2.04 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.64 -11.04 9.39 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.156 1.904 . . . . 0.0 111.984 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.608 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 13.4 p -106.61 27.0 9.26 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.685 0.755 . . . . 0.0 110.627 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.53 74.29 8.53 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . 0.421 ' NH1' HG22 ' A' 1621 ' ' THR . 13.4 ptt180 -140.14 153.17 68.87 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.675 -170.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.9 Cg_endo -86.23 140.06 6.38 Favored 'Trans proline' 0 N--CA 1.449 -1.104 0 C-N-CA 122.991 2.461 . . . . 0.0 111.641 177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.2 ttp -132.64 131.23 41.16 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.712 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.662 HD21 HD23 ' A' 1629 ' ' LEU . 48.6 tp -82.23 124.29 29.79 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.24 -53.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.089 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.2 t -143.86 151.85 40.4 Favored 'General case' 0 N--CA 1.424 -1.766 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.662 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.99 101.58 7.78 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.596 ' HB2' ' HE1' ' A' 1637 ' ' PHE . 24.1 t70 -82.44 111.81 18.81 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.454 -177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.854 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.87 -5.57 53.89 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.71 -55.46 4.25 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.58 ' HA ' ' HB3' ' A' 1600 ' ' SER . 8.0 t -104.78 8.25 34.85 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.51 ' HB3' ' HD1' ' A' 1606 ' ' TYR . 71.1 m 57.21 49.63 13.11 Favored 'General case' 0 C--O 1.207 -1.157 0 C-N-CA 124.455 1.102 . . . . 0.0 111.631 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' 1607 ' ' LYS . 57.2 m -115.67 128.15 55.7 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 121.412 0.625 . . . . 0.0 112.3 -176.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.608 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.9 mp -90.75 119.56 31.08 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.228 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.596 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.6 m-85 -98.51 113.51 25.55 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.631 0.253 . . . . 0.0 110.755 -178.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.884 ' HZ ' HG21 ' A' 1548 ' ' VAL . 81.3 m-85 -109.37 147.04 33.41 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.2 t -124.15 114.87 20.23 Favored 'General case' 0 N--CA 1.411 -2.419 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t-105 -104.42 129.79 52.36 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.401 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 31.7 m170 -97.96 114.33 26.42 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.481 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.78 140.08 17.9 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-O 121.423 0.63 . . . . 0.0 111.074 -176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 12.1 Cg_exo -72.3 -13.08 28.02 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.22 2.614 . . . . 0.0 111.122 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.92 -14.88 59.82 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.165 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -92.0 0.87 57.47 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.249 0.343 . . . . 0.0 110.77 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 72.8 m -75.33 125.1 28.3 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.174 0.512 . . . . 0.0 111.557 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -84.23 76.82 10.07 Favored 'General case' 0 N--CA 1.424 -1.75 0 CA-C-O 122.599 1.19 . . . . 0.0 111.693 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' 1525 ' ' HIS . 8.5 mp -101.4 167.9 9.87 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 172.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.046 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 C--O 1.24 0.582 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' 1512 ' ' GLU . 24.3 pttm -114.93 151.65 33.68 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.4 p -123.05 11.13 9.49 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -103.97 24.41 11.39 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.758 0.79 . . . . 0.0 109.385 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.459 ' HB3' ' HE2' ' A' 1509 ' ' LYS . 0.0 OUTLIER -86.69 21.47 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.496 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -125.72 139.25 53.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -87.7 -3.58 58.96 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.605 0.717 . . . . 0.0 110.681 -173.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -91.83 115.07 27.75 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.521 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 44.4 t -103.38 88.9 3.22 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.0 pt20 -163.34 147.19 10.69 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.591 -173.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.3 p -137.4 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . 0.409 ' OG1' HD23 ' A' 1526 ' ' LEU . 27.9 m -105.51 135.2 47.33 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.71 0.291 . . . . 0.0 110.564 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.522 ' ND2' ' HB2' ' A' 1647 ' ' GLU . 27.9 t30 -85.18 113.42 50.19 Favored Pre-proline 0 CA--C 1.503 -0.857 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 172.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.14 -18.97 67.61 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.721 2.28 . . . . 0.0 113.476 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.3 m -78.19 -54.52 6.15 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 120.515 0.198 . . . . 0.0 111.137 -176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 61.1 p -93.94 -11.46 30.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.343 0.592 . . . . 0.0 110.974 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 74.3 16.61 79.76 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.199 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 7.7 t60 -91.36 129.65 37.32 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.709 0.29 . . . . 0.0 110.289 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.409 HD23 ' OG1' ' A' 1519 ' ' THR . 2.9 tm? -91.58 120.34 32.29 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.52 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 40.0 m-85 -98.12 106.84 19.19 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -106.09 120.14 41.04 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.26 23.22 12.03 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 25.5 t -63.79 -24.7 67.86 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 25.5 t -66.29 -24.19 66.52 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.72 -0.612 . . . . 0.0 110.52 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' 1552 ' ' ILE . 90.1 mt -93.03 13.42 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.98 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 65.1 p -80.02 33.9 0.29 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.4 86.21 0.09 OUTLIER Glycine 0 C--O 1.243 0.698 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' A' 1551 ' ' SER . 1.6 ptm180 -66.95 -9.13 35.16 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 124.504 1.122 . . . . 0.0 113.351 -174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -65.83 -27.56 68.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.32 100.48 2.66 Favored Glycine 0 N--CA 1.425 -2.061 0 CA-C-N 115.38 -0.827 . . . . 0.0 113.873 175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -68.64 125.76 27.54 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 171.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.9 m -102.0 108.12 19.46 Favored 'General case' 0 C--N 1.274 -2.675 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -86.87 91.03 8.52 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 176.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.61 94.28 9.84 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.804 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 14.7 p90 -85.99 -24.57 26.42 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.37 138.13 41.29 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -74.97 130.63 39.7 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.069 0.461 . . . . 0.0 110.042 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 111.67 -30.47 7.79 Favored Glycine 0 N--CA 1.424 -2.107 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.25 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.38 107.98 3.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 122.367 1.079 . . . . 0.0 112.449 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -118.56 174.99 15.54 Favored Glycine 0 N--CA 1.418 -2.502 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.355 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.699 HG21 ' HZ ' ' A' 1638 ' ' PHE . 48.6 t -98.54 119.7 46.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 122.337 0.255 . . . . 0.0 110.774 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.616 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 61.6 m-85 -95.4 96.03 8.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.9 ptp -115.39 150.49 36.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 40.5 t -118.02 138.56 52.12 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.601 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.6 mm -89.54 100.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.702 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 92.4 m 59.97 89.64 0.06 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.668 -177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.1 116.31 1.04 Allowed Glycine 0 CA--C 1.495 -1.195 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.111 -177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' 1562 ' ' GLY . 24.8 mt-10 -51.11 120.93 5.4 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 125.315 1.446 . . . . 0.0 112.687 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.636 ' HB2' HG13 ' A' 1563 ' ' VAL . 16.1 m120 -64.83 130.5 43.73 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.277 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' 1535 ' ' ARG . 12.7 pt-20 -83.68 -17.4 41.55 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.806 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.44 -28.85 70.26 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.667 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.89 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.7 m -129.51 -178.42 0.81 Allowed Pre-proline 0 C--N 1.3 -1.577 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.599 -175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.632 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 66.7 Cg_exo -48.18 127.95 16.16 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.49 2.126 . . . . 0.0 111.615 173.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 74.9 Cg_exo -51.45 127.76 23.5 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 123.377 2.718 . . . . 0.0 112.587 -177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' 1555 ' ' GLU . . . 122.64 -23.53 7.05 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.403 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.89 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.1 p -74.09 144.46 12.45 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -108.78 -16.74 11.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.588 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -155.25 135.02 12.75 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.616 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.0 m -112.42 143.41 43.59 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' 1572 ' ' ILE . 3.0 t80 -136.99 161.44 36.05 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 77.56 178.55 48.29 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.286 177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.92 -36.88 16.87 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 28.4 p -72.76 -82.52 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -169.47 32.86 0.02 OUTLIER 'General case' 0 C--O 1.237 0.414 0 C-N-CA 122.34 0.256 . . . . 0.0 111.367 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' 1567 ' ' PHE . 69.9 mt -62.3 120.79 9.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 120.978 0.418 . . . . 0.0 110.308 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 23.0 t -87.93 120.89 29.71 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 15.7 t -86.52 -27.33 6.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.655 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.32 163.41 28.24 Favored Glycine 0 N--CA 1.416 -2.663 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' 1562 ' ' GLY . 22.2 tptm -75.05 143.31 43.53 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 125.002 1.321 . . . . 0.0 108.157 178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -73.94 108.23 6.63 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.964 0.411 . . . . 0.0 111.354 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -101.77 127.99 48.31 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.687 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.702 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 63.3 mttm -93.92 35.44 1.15 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.551 0.691 . . . . 0.0 109.537 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -111.52 91.18 3.56 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.562 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' 1588 ' ' LEU . 49.2 tp -81.66 133.85 35.41 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.446 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 97.8 mtt180 -119.48 163.15 17.69 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.653 ' HE1' ' HA ' ' A' 1586 ' ' GLN . 0.4 OUTLIER -128.66 110.69 12.44 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 174.174 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 142.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 29.2 t70 45.49 53.73 8.11 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 124.888 1.275 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.653 ' HA ' ' HE1' ' A' 1583 ' ' TYR . 26.6 mm-40 57.49 22.95 8.58 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.5 161.27 27.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.5 mt -90.58 138.37 31.61 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 35.2 tt0 -118.09 123.19 45.0 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 120.995 0.426 . . . . 0.0 111.958 -176.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' 1590 ' ' LEU . 14.1 mt -120.4 105.23 10.69 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.451 170.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.419 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.7 p -103.92 124.11 58.06 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.715 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -106.9 104.83 14.6 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.419 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -104.94 -179.89 4.08 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.743 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 51.24 60.75 3.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.15 1.38 . . . . 0.0 113.178 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -119.16 -72.61 0.39 Allowed Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.136 -1.031 . . . . 0.0 111.504 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 41.8 t -111.69 128.99 24.62 Favored Pre-proline 0 C--N 1.301 -1.51 0 O-C-N 122.592 -0.358 . . . . 0.0 110.331 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -80.37 48.96 3.05 Favored 'Trans proline' 0 CA--C 1.547 1.159 0 C-N-CA 124.171 3.247 . . . . 0.0 112.836 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 27.4 p -46.41 151.36 1.0 Allowed Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 126.005 1.722 . . . . 0.0 112.577 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -68.7 90.92 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.765 2.31 . . . . 0.0 109.096 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.614 ' HB3' ' HA2' ' A' 1603 ' ' GLY . 47.7 t -103.43 174.15 6.0 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.073 -173.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -82.44 -51.55 7.73 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 19.0 m -87.73 -24.21 23.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.537 0.684 . . . . 0.0 110.617 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' ' HB3' ' A' 1600 ' ' SER . . . 86.26 48.41 4.58 Favored Glycine 0 CA--C 1.505 -0.538 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.679 176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' 1604 ' ' LEU . 0.9 OUTLIER -81.81 -94.82 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.1 0.476 . . . . 0.0 110.227 -178.063 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.446 ' H ' ' HB2' ' A' 1604 ' ' LEU . 27.9 t -169.67 170.48 8.0 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 175.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.931 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 11.5 t80 -82.74 47.26 1.17 Allowed 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 124.451 1.1 . . . . 0.0 109.862 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' 1635 ' ' THR . 52.2 pttt -57.03 143.68 37.29 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.931 1.692 . . . . 0.0 114.594 -175.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.514 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 34.1 t -110.37 135.34 51.24 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.873 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.2 t -118.14 112.17 37.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 176.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 22.1 mt -93.51 112.72 27.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 35.6 p -99.54 110.76 23.18 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.6 m-85 -83.36 113.73 20.93 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.71 131.1 54.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.534 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 20.1 t -57.33 126.33 26.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -158.13 100.48 1.76 Allowed Pre-proline 0 N--CA 1.411 -2.395 0 CA-C-N 114.595 -1.184 . . . . 0.0 107.994 175.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.98 -13.24 39.21 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.235 1.956 . . . . 0.0 111.011 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -90.44 11.64 20.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.733 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -101.11 40.77 1.25 Allowed 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -174.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -68.32 -67.14 2.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -85.98 -9.76 7.34 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.361 2.041 . . . . 0.0 113.187 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 10.0 t -109.01 32.95 4.53 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.441 1.115 . . . . 0.0 109.58 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.2 74.78 9.16 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.352 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -149.47 157.2 39.21 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.904 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 90.2 Cg_endo -86.34 143.78 7.76 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.991 2.461 . . . . 0.0 112.274 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 61.4 mtm -126.99 137.75 53.15 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.668 HD21 HD23 ' A' 1629 ' ' LEU . 58.4 tp -84.58 110.07 18.44 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.8 mm -83.69 -52.76 12.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.46 -173.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -147.1 145.75 29.71 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.668 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.0 106.51 16.06 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 177.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.696 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.4 t70 -88.43 106.09 18.03 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.504 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.1 OUTLIER -79.27 -5.88 55.39 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.349 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -82.31 -58.35 2.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 121.146 0.498 . . . . 0.0 110.398 -176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' 1635 ' ' THR . 12.2 t -98.61 12.38 35.49 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.132 0.967 . . . . 0.0 109.12 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.931 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 96.8 m 52.95 55.4 9.0 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.719 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' 1607 ' ' LYS . 42.1 m -116.2 119.88 37.2 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 119.989 -0.684 . . . . 0.0 112.135 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.7 mp -88.34 110.56 20.87 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.696 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.2 m-85 -90.57 111.85 23.32 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.058 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.699 ' HZ ' HG21 ' A' 1548 ' ' VAL . 71.6 m-85 -108.19 138.8 43.85 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 46.6 t -113.16 122.1 46.49 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -112.38 115.24 28.4 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 35.2 m170 -77.64 110.0 12.09 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.8 t -143.08 140.86 18.38 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-O 121.355 0.597 . . . . 0.0 111.291 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1642 ' ' THR . 8.1 Cg_exo -75.47 -12.83 20.59 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.15 2.567 . . . . 0.0 110.77 174.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.25 -7.79 58.54 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.56 6.19 42.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 71.0 m -86.86 120.67 28.39 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.522 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.5 pt-20 -80.32 77.14 7.1 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.558 1.171 . . . . 0.0 111.519 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.4 pp -106.12 166.45 10.5 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.222 -1.353 . . . . 0.0 109.194 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.9 ttp . . . . . 0 CA--C 1.507 -0.687 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -91.56 115.84 28.37 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.53 ' HB2' ' OE2' ' A' 1512 ' ' GLU . 19.7 m -105.74 -168.37 1.44 Allowed 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.5 m120 -135.14 31.24 3.25 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.53 ' OE2' ' HB2' ' A' 1510 ' ' SER . 0.0 OUTLIER -71.09 -9.82 58.7 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.41 -1.723 . . . . 0.0 114.057 -170.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 82.7 t60 78.97 53.98 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 122.546 1.165 . . . . 0.0 109.982 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -74.43 -69.29 0.46 Allowed 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.095 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -145.75 146.62 31.3 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 122.278 0.231 . . . . 0.0 110.739 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 43.9 t -130.84 84.75 2.21 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' 1527 ' ' PHE . 11.1 pt20 -145.71 155.04 42.72 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.337 -175.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.8 p -148.84 152.32 12.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 30.7 m -110.07 142.21 41.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.753 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 33.7 t30 -89.09 116.57 66.66 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 174.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -67.4 -10.85 30.07 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.883 2.388 . . . . 0.0 112.936 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' 1520 ' ' ASN . 12.1 t -85.43 -52.8 5.61 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.467 -177.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.49 ' HB ' ' HA ' ' A' 1649 ' ' ALA . 61.9 p -98.84 -18.31 17.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.093 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.02 14.11 77.88 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -82.13 136.37 35.17 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 115.469 -0.366 . . . . 0.0 110.392 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.4 tm? -95.74 126.38 40.97 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.753 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 76.0 m-85 -102.25 108.18 19.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -111.87 118.18 34.82 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 88.0 mt -102.99 20.9 16.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.4 m -66.69 -15.68 63.68 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.289 0.566 . . . . 0.0 111.94 -176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 43.6 m -77.18 -19.29 56.95 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.033 0.444 . . . . 0.0 110.727 176.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.95 12.41 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.615 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 50.1 m -84.73 33.12 0.52 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -66.77 98.65 0.43 Allowed Glycine 0 C--O 1.249 1.035 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.404 ' HA ' ' OG ' ' A' 1551 ' ' SER . 26.3 ptt180 -71.67 -8.68 55.64 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.13 -20.0 65.7 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.215 0.531 . . . . 0.0 110.59 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 97.09 100.66 2.02 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 115.669 -0.696 . . . . 0.0 114.694 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.07 128.94 38.44 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 23.4 m -103.02 108.93 20.29 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -167.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.577 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -87.92 86.58 7.16 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -91.64 94.52 9.44 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.685 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.486 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 4.2 p90 -86.85 -10.8 52.58 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.654 0.74 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -138.17 160.27 39.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -79.75 123.48 27.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 123.721 0.638 . . . . 0.0 109.906 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 97.51 -29.27 11.22 Favored Glycine 0 C--N 1.299 -1.491 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.795 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.599 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 0.6 OUTLIER -138.93 130.73 27.66 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.425 0.631 . . . . 0.0 111.237 -176.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -144.94 -176.11 18.67 Favored Glycine 0 N--CA 1.424 -2.151 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.882 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.8 t -100.19 119.34 48.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 CA-C-O 120.687 0.28 . . . . 0.0 110.744 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.478 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 26.4 m-85 -96.47 92.0 6.07 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.1 ptm -115.78 139.25 50.35 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -171.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 19.4 m -119.65 131.26 55.4 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.673 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.599 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.4 mm -85.95 108.14 17.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.906 0 C-N-CA 122.181 0.192 . . . . 0.0 110.524 -176.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 78.7 m 55.01 89.31 0.04 OUTLIER 'General case' 0 C--O 1.253 1.276 0 C-N-CA 123.928 0.891 . . . . 0.0 112.475 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' 1577 ' ' ALA . . . 144.63 116.3 1.06 Allowed Glycine 0 C--N 1.305 -1.158 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.134 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -43.03 109.33 0.13 Allowed 'General case' 0 C--O 1.241 0.656 0 C-N-CA 125.704 1.602 . . . . 0.0 114.037 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.678 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.1 t-20 -63.49 127.51 31.65 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.113 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.03 -7.53 59.09 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.73 -31.03 63.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.558 0.695 . . . . 0.0 110.248 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.99 ' HB2' HG11 ' A' 1563 ' ' VAL . 77.4 m -119.47 172.64 4.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.587 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.9 Cg_endo -50.35 132.37 34.3 Favored 'Trans proline' 0 C--N 1.362 1.255 0 C-N-CA 122.879 2.386 . . . . 0.0 112.218 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 87.1 Cg_exo -48.13 132.1 22.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 124.115 3.21 . . . . 0.0 113.067 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 123.08 -32.19 4.46 Favored Glycine 0 N--CA 1.431 -1.659 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.3 p -71.86 151.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -116.06 -20.89 5.09 Favored Glycine 0 N--CA 1.438 -1.228 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.758 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.7 138.77 23.5 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 60.9 m -119.49 150.24 40.56 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.486 ' HE1' ' HE1' ' A' 1542 ' ' TYR . 21.5 t80 -146.53 164.96 30.89 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.599 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 86.85 179.13 49.02 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.614 175.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -88.83 -27.44 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 39.7 p -90.1 -82.38 0.27 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -163.21 26.88 0.09 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.041 -0.412 . . . . 0.0 111.722 -175.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -61.66 116.72 2.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 49.0 m -84.37 126.08 32.9 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.756 HG12 ' HB2' ' A' 1608 ' ' SER . 3.2 t -104.67 33.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-O 122.766 1.27 . . . . 0.0 109.956 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 114.85 156.38 11.3 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.067 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 34.8 mmtp -78.69 148.22 33.2 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . 0.411 ' HB1' ' H ' ' A' 1554 ' ' GLY . . . -75.25 75.28 2.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.169 0.587 . . . . 0.0 112.26 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.91 131.12 46.74 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 53.3 pttt -94.46 19.2 9.99 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.746 0.784 . . . . 0.0 111.061 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -98.91 81.43 2.62 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.438 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.1 tp -71.84 133.74 45.67 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.212 176.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 96.9 mtt180 -117.24 163.52 16.18 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.504 0.721 . . . . 0.0 109.755 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.446 ' HD1' HD23 ' A' 1588 ' ' LEU . 73.6 t80 -127.1 107.55 10.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 21.6 m -139.42 140.64 36.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.339 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.1 t70 50.55 47.23 24.5 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.511 1.124 . . . . 0.0 110.927 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 59.47 23.3 11.88 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 113.974 -1.466 . . . . 0.0 113.839 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' 1612 ' ' PHE . 30.9 m -138.58 169.81 17.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.865 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.8 mt -94.66 142.96 26.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.9 tt0 -128.96 133.64 47.89 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 120.957 0.408 . . . . 0.0 111.436 -177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.2 mt -126.74 134.85 50.55 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.638 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -126.97 117.92 49.0 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-O 121.568 0.699 . . . . 0.0 110.226 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -104.03 105.82 16.12 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.4 OUTLIER -107.39 176.94 4.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.036 -177.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.61 46.91 21.85 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -90.31 -72.52 1.25 Allowed Glycine 0 N--CA 1.426 -1.982 0 C-N-CA 119.412 -1.375 . . . . 0.0 111.023 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 31.0 m -115.34 142.42 28.68 Favored Pre-proline 0 C--N 1.294 -1.831 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.95 48.01 2.69 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.951 3.1 . . . . 0.0 111.002 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.617 ' HB3' ' HD2' ' A' 1606 ' ' TYR . 10.8 p -52.17 127.42 37.9 Favored Pre-proline 0 C--N 1.31 -1.122 0 C-N-CA 125.408 1.483 . . . . 0.0 113.094 -176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.7 121.38 7.88 Favored 'Trans proline' 0 N--CA 1.442 -1.519 0 C-N-CA 122.027 1.818 . . . . 0.0 108.527 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' 1631 ' ' LYS . 53.7 m -150.79 -167.93 2.96 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -52.07 64.59 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.407 0.442 . . . . 0.0 110.136 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.0 m -108.02 -27.28 10.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.108 0.956 . . . . 0.0 111.337 174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.98 48.19 55.62 Favored Glycine 0 CA--C 1.49 -1.524 0 CA-C-N 114.006 -1.452 . . . . 0.0 112.994 172.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.502 ' H ' HD22 ' A' 1604 ' ' LEU . 2.1 mm? -67.49 -78.3 0.06 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.41 0.624 . . . . 0.0 109.401 -176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.5 p -167.06 155.82 10.12 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' 1596 ' ' SER . 0.8 OUTLIER -68.93 48.82 0.07 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.647 1.579 . . . . 0.0 110.766 179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' 1593 ' ' LYS . 60.6 pttt -73.4 150.15 41.96 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -173.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.756 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.7 t -118.28 138.89 52.06 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.64 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.3 t -120.06 115.19 46.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' 1589 ' ' GLN . 17.5 mt -104.63 119.67 53.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.119 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 46.5 m -106.49 115.43 30.18 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.865 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.3 m-85 -89.69 115.42 27.05 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' 1641 ' ' HIS . 58.6 t -105.53 134.35 47.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 C-N-CA 123.544 0.738 . . . . 0.0 109.268 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 21.5 t -59.23 127.85 34.22 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.278 0.631 . . . . 0.0 112.693 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -157.3 97.8 2.0 Favored Pre-proline 0 C--N 1.311 -1.106 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.959 172.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.56 -26.08 80.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.63 2.22 . . . . 0.0 112.524 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.18 25.83 1.77 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.786 0.434 . . . . 0.0 111.963 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' 1643 ' ' PRO . . . -104.78 40.9 1.41 Allowed 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 120.955 0.407 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -70.84 -72.7 0.86 Allowed Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -82.82 0.12 9.81 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.354 2.036 . . . . 0.0 112.791 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.9 p -117.25 32.9 5.9 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.904 0.859 . . . . 0.0 109.56 177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -84.54 70.65 10.75 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -135.76 148.7 66.44 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.75 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 73.0 Cg_endo -78.16 158.42 30.15 Favored 'Trans proline' 0 C--O 1.249 1.041 0 C-N-CA 122.558 2.172 . . . . 0.0 110.912 176.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 55.1 ttp -139.31 130.41 26.54 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.522 HD21 HD23 ' A' 1629 ' ' LEU . 49.6 tp -73.95 118.55 17.04 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' 1639 ' ' SER . 48.8 mm -89.24 -56.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.967 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 36.2 t -147.28 157.0 43.43 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.522 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -122.06 117.26 25.89 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.052 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.546 ' OD1' HG22 ' A' 1633 ' ' THR . 12.8 t70 -102.59 108.35 19.6 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.382 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' 1600 ' ' SER . 0.0 OUTLIER -79.96 0.76 30.1 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.227 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.9 -57.23 2.93 Favored 'General case' 0 C--O 1.259 1.567 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.546 HG22 ' OD1' ' A' 1630 ' ' ASP . 8.9 t -93.67 -7.46 43.72 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.228 -1.351 . . . . 0.0 109.623 -178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.8 t 67.44 45.74 1.53 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.611 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.0 m -115.05 133.32 56.14 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.793 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.518 ' HG ' HD22 ' A' 1629 ' ' LEU . 9.2 mp -97.27 121.92 39.71 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.189 175.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.509 ' HE1' ' HB2' ' A' 1630 ' ' ASP . 97.1 m-85 -98.55 122.23 41.5 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 116.726 -0.216 . . . . 0.0 110.55 -177.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.882 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.7 m-85 -120.42 150.32 40.97 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 121.246 0.546 . . . . 0.0 112.059 -179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.476 ' HB3' HD11 ' A' 1627 ' ' ILE . 34.9 t -126.2 129.4 48.91 Favored 'General case' 0 C--N 1.289 -2.057 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 173.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.0 t90 -123.59 108.02 12.15 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' 1613 ' ' VAL . 38.2 m-70 -81.79 112.06 18.59 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 1.8 t -142.43 146.33 38.59 Favored Pre-proline 0 C--N 1.301 -1.5 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.282 -175.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 13.4 Cg_exo -71.37 -12.96 30.3 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.209 2.606 . . . . 0.0 110.974 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.0 mt -82.67 -2.56 54.4 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.149 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -107.26 11.52 29.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.644 0.735 . . . . 0.0 109.844 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 82.1 m -88.59 127.77 35.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.502 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.42 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 0.0 OUTLIER -83.82 76.34 10.02 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 122.856 1.312 . . . . 0.0 110.045 -178.065 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.7 151.89 33.97 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.764 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.29 -2.014 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.756 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 64.7 mttm 51.76 54.9 10.15 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.472 0.709 . . . . 0.0 112.235 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 19.3 m -98.63 -11.17 22.34 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.616 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.66 -28.68 67.91 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.091 0.472 . . . . 0.0 110.255 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.41 -23.11 67.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.54 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.1 m80 -97.57 -4.72 37.17 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 120.9 0.381 . . . . 0.0 111.846 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.94 53.69 1.73 Allowed 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.797 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -47.04 137.42 7.58 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 122.173 0.987 . . . . 0.0 112.89 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' 1579 ' ' LYS . 18.9 t -122.28 83.93 2.18 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.796 -176.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -149.99 149.24 30.08 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.895 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.5 p -135.84 146.58 29.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 89.7 m -106.15 132.2 52.51 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 120.86 0.362 . . . . 0.0 110.61 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.651 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 43.1 t30 -78.03 114.32 41.0 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.14 -10.74 29.65 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 122.778 2.319 . . . . 0.0 112.581 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . 0.411 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.1 t -81.49 -61.81 1.83 Allowed 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.145 -178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 73.3 p -97.15 -13.21 22.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 77.48 21.81 71.66 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' 1648 ' ' LEU . 52.5 t-80 -89.67 131.13 35.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.203 -0.499 . . . . 0.0 110.08 -179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.51 129.06 36.71 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 64.6 m-85 -104.42 106.88 17.55 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.41 119.1 38.12 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.22 23.12 12.91 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.9 m -68.55 -19.52 64.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.3 t -68.91 -25.9 64.82 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.526 ' O ' ' HB ' ' A' 1552 ' ' ILE . 97.7 mt -92.27 13.61 18.75 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.0 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' 1552 ' ' ILE . 13.5 t -76.56 33.8 0.14 Allowed 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 123.506 0.723 . . . . 0.0 111.523 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.2 94.9 0.19 Allowed Glycine 0 C--O 1.242 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.939 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' 1557 ' ' GLU . 19.9 ptp180 -66.54 -18.91 65.63 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.147 0.979 . . . . 0.0 112.545 -176.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.22 64.86 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 98.97 100.46 2.22 Favored Glycine 0 N--CA 1.427 -1.938 0 CA-C-N 115.698 -0.683 . . . . 0.0 114.027 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -65.72 127.7 33.02 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.7 m -102.4 111.75 24.17 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -98.42 101.89 13.47 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.44 118.0 36.08 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.37 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 31.1 p90 -92.79 -17.44 24.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.465 0.65 . . . . 0.0 110.046 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -156.55 156.7 34.08 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -69.9 115.21 8.86 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' 1569 ' ' GLN . . . 114.64 -3.77 23.12 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.977 -177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 77.5 m95 -140.22 106.1 5.17 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -126.61 127.96 6.16 Favored Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 175.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.852 HG21 ' HZ ' ' A' 1638 ' ' PHE . 88.2 t -86.49 112.69 23.18 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 43.6 m-85 -92.17 96.29 10.23 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.1 ptp -115.81 140.93 48.74 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.395 0.617 . . . . 0.0 112.448 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 24.8 m -113.83 124.79 53.07 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.633 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.6 mm -79.37 107.89 12.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.458 ' SG ' HD11 ' A' 1590 ' ' LEU . 40.6 m 58.3 88.56 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.088 0.955 . . . . 0.0 110.919 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 142.41 117.21 1.26 Allowed Glycine 0 N--CA 1.438 -1.227 0 C-N-CA 119.2 -1.476 . . . . 0.0 111.987 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -43.57 117.8 1.23 Allowed 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.169 0.988 . . . . 0.0 113.315 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.446 ' HB3' HG13 ' A' 1563 ' ' VAL . 49.5 t-20 -69.44 135.27 50.0 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 126.17 1.788 . . . . 0.0 111.101 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' 1535 ' ' ARG . 8.1 pt-20 -84.42 -14.75 48.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.616 0.767 . . . . 0.0 112.271 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.41 0.624 . . . . 0.0 110.949 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.972 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.1 m -133.73 170.95 9.99 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 98.6 Cg_exo -49.6 127.39 18.38 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 122.795 2.33 . . . . 0.0 111.774 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.7 138.68 19.57 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 124.278 3.318 . . . . 0.0 113.008 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 118.15 -30.26 6.13 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' 1559 ' ' CYS . 7.3 p -77.87 148.53 6.39 Favored 'Isoleucine or valine' 0 C--O 1.247 0.929 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -112.97 -25.95 4.29 Favored Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.275 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -143.82 137.54 28.06 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 59.9 m -118.26 147.48 43.38 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.496 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 14.6 t80 -135.38 151.95 50.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.62 177.14 48.54 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.039 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1545 ' ' GLY . 48.5 mt-30 -91.02 -21.21 21.38 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-O 121.174 0.512 . . . . 0.0 109.963 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 7.1 p -81.89 -83.85 0.12 Allowed 'General case' 0 N--CA 1.422 -1.866 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -169.96 32.93 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.961 0.801 . . . . 0.0 111.172 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 112.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 121.826 -0.546 . . . . 0.0 109.584 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.2 m -81.52 130.72 35.15 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 9.6 t -95.41 -28.46 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.813 -177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 178.42 164.99 32.35 Favored Glycine 0 N--CA 1.425 -2.076 0 C-N-CA 118.782 -1.675 . . . . 0.0 113.18 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -77.04 146.1 37.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -78.04 83.86 4.32 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.243 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.02 117.97 22.64 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 46.6 mtpt -92.91 52.19 1.8 Allowed 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 122.274 1.035 . . . . 0.0 108.423 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -116.31 78.41 1.19 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.25 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.3 tp -68.2 130.88 44.26 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.28 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -120.01 158.98 25.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.606 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.52 ' HD1' HD23 ' A' 1588 ' ' LEU . 50.8 t80 -124.26 106.37 10.22 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.7 m -140.22 140.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.754 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.6 t70 47.9 48.69 17.66 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 125.082 1.353 . . . . 0.0 112.006 174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 64.22 23.77 13.21 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 114.051 -1.431 . . . . 0.0 113.851 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.9 m -141.12 158.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 82.3 mt -90.47 134.82 34.09 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -120.26 136.55 54.63 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.859 -0.736 . . . . 0.0 112.31 -175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' 1553 ' ' CYS . 25.7 mt -130.55 113.38 14.18 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.865 -1.516 . . . . 0.0 108.354 171.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.429 HG23 HG22 ' A' 1609 ' ' VAL . 10.3 p -107.83 118.17 54.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-O 122.169 0.985 . . . . 0.0 111.272 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -105.04 103.3 12.83 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -107.77 176.68 5.06 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 65.57 24.56 11.75 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -74.03 -71.6 1.1 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.27 -1.443 . . . . 0.0 110.372 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 68.5 m -109.4 139.19 20.86 Favored Pre-proline 0 C--N 1.291 -1.973 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.8 Cg_exo -77.49 48.01 2.45 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 123.741 2.961 . . . . 0.0 112.074 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.489 ' HB2' ' HB2' ' A' 1606 ' ' TYR . 49.9 t -41.64 120.9 2.17 Favored Pre-proline 0 C--O 1.254 1.318 0 C-N-CA 125.302 1.441 . . . . 0.0 112.528 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 25.0 Cg_exo -65.47 90.61 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.408 2.739 . . . . 0.0 110.562 177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.646 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 2.2 p -105.84 -176.18 3.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.377 -177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.466 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 1.2 tmmt? -62.81 -51.23 67.86 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 117.772 0.26 . . . . 0.0 110.509 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' 1604 ' ' LEU . 69.9 m -93.88 -0.57 55.63 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.4 48.98 27.66 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.965 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' 1602 ' ' SER . 1.6 mm? -80.71 -100.01 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.126 0.488 . . . . 0.0 111.297 -176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 74.3 p -167.82 172.64 8.94 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 8.8 t80 -88.3 47.59 1.52 Allowed 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 123.648 0.779 . . . . 0.0 109.299 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.7 pttt -62.96 154.81 29.27 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.476 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 36.2 t -121.39 138.6 54.2 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.468 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.429 HG22 HG23 ' A' 1591 ' ' VAL . 91.3 t -119.36 108.06 22.83 Favored 'Isoleucine or valine' 0 C--O 1.248 0.983 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 20.7 mt -91.38 118.7 37.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 32.9 p -108.6 116.08 31.3 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 120.997 0.427 . . . . 0.0 109.889 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.876 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.6 m-85 -90.35 117.52 29.14 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.448 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 59.2 t -106.84 132.45 54.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.575 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.473 ' HB2' ' HA ' ' A' 1646 ' ' CYS . 10.6 t -57.0 127.11 30.29 Favored 'General case' 0 CA--C 1.507 -0.7 0 C-N-CA 123.866 0.867 . . . . 0.0 110.563 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.499 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 14.1 tpp85 -154.08 115.53 2.56 Favored Pre-proline 0 N--CA 1.42 -1.94 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.493 ' HD2' ' HD3' ' A' 1615 ' ' ARG . 49.9 Cg_endo -73.44 -18.6 22.81 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.27 1.98 . . . . 0.0 111.082 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.73 24.09 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.256 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -91.06 40.45 1.03 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.363 0.602 . . . . 0.0 112.463 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -82.59 -69.79 1.38 Allowed Glycine 0 N--CA 1.433 -1.515 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -84.39 1.63 8.57 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.956 2.438 . . . . 0.0 113.57 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 14.5 t -122.02 29.36 7.09 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 122.614 1.197 . . . . 0.0 108.981 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -84.19 70.21 10.52 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -161.0 156.44 21.16 Favored Pre-proline 0 C--N 1.301 -1.528 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.056 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 89.0 Cg_endo -84.9 137.8 6.61 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.09 -177.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 36.2 ttp -118.6 130.21 55.76 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 59.7 tp -77.64 115.24 17.24 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.6 mm -85.56 -50.84 14.14 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.53 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 9.0 t -155.67 158.75 38.8 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.57 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -119.85 111.0 17.42 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.712 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 16.7 t70 -89.58 100.86 13.57 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 176.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.16 2.54 20.6 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -88.15 -49.08 7.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.478 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.8 t -108.33 7.55 27.25 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.79 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.646 ' SG ' ' HB3' ' A' 1600 ' ' SER . 77.5 m 57.88 62.79 1.97 Allowed 'General case' 0 C--O 1.206 -1.223 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.903 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' 1607 ' ' LYS . 26.6 m -125.24 129.14 49.45 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.487 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.3 mp -92.78 115.53 28.2 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.961 175.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.712 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 89.4 m-85 -94.11 119.32 32.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.488 0.185 . . . . 0.0 110.535 -178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.852 ' HZ ' HG21 ' A' 1548 ' ' VAL . 68.6 m-85 -118.19 141.4 48.54 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.0 t -116.13 120.69 39.83 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t90 -113.83 123.45 49.84 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 68.4 m80 -90.58 115.09 27.44 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -142.44 139.92 18.2 Favored Pre-proline 0 C--N 1.302 -1.493 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.857 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 6.1 Cg_exo -76.48 -11.94 18.78 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.414 2.743 . . . . 0.0 110.561 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' 1527 ' ' PHE . 91.4 mt -78.94 -10.43 59.81 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.17 7.74 45.83 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.082 0.468 . . . . 0.0 110.869 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.473 ' HA ' ' HB2' ' A' 1614 ' ' CYS . 95.0 m -77.81 121.59 24.29 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.524 0.678 . . . . 0.0 111.684 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -84.42 77.18 10.05 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-O 122.449 1.118 . . . . 0.0 111.007 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' 1525 ' ' HIS . 1.3 pp -118.6 166.86 12.21 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.059 -1.428 . . . . 0.0 108.461 174.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.472 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 99.0 mttt 70.39 50.44 0.4 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 110.778 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' 1518 ' ' VAL . 50.9 m -154.42 -40.61 0.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -126.56 -2.82 6.73 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.29 -13.59 59.07 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -172.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' 1579 ' ' LYS . 20.7 m-70 68.04 20.49 9.06 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.76 0.824 . . . . 0.0 110.876 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.17 -40.05 38.99 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.316 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -154.1 160.42 41.94 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1553 ' ' CYS . 1.9 t -73.92 76.57 1.66 Allowed 'General case' 0 C--O 1.247 0.956 0 CA-C-O 121.61 0.719 . . . . 0.0 109.775 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.938 ' HB2' HD21 ' A' 1526 ' ' LEU . 3.3 pt20 -142.73 136.46 28.96 Favored 'General case' 0 N--CA 1.421 -1.923 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.684 -175.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' 1510 ' ' SER . 11.4 p -141.15 141.25 31.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 174.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 26.4 m -104.19 138.49 40.58 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.667 -0.645 . . . . 0.0 110.991 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.56 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 45.9 t30 -87.65 111.16 40.06 Favored Pre-proline 0 CA--C 1.506 -0.717 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.43 -11.85 33.26 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.696 2.264 . . . . 0.0 113.352 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.1 t -83.57 -54.0 5.26 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-O 120.903 0.383 . . . . 0.0 110.26 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.85 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 46.6 p -92.36 -9.93 40.05 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.55 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 69.35 19.61 74.48 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.922 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -102.4 141.75 34.72 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -91.51 130.35 37.35 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 94.0 m-85 -88.63 106.3 18.23 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.7 101.93 13.26 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.32 12.66 36.29 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 120.931 0.396 . . . . 0.0 111.053 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -14.29 62.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 121.596 0.712 . . . . 0.0 110.689 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.6 p -69.4 -24.35 63.84 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.838 0.828 . . . . 0.0 109.961 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.2 14.21 18.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.68 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.0 t -82.19 32.86 0.39 Allowed 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.966 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.64 97.56 0.63 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -64.04 -10.65 23.22 Favored 'General case' 0 C--O 1.249 1.042 0 C-N-CA 124.569 1.147 . . . . 0.0 113.083 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -67.69 -21.5 65.33 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.476 0.655 . . . . 0.0 110.679 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.54 100.48 1.82 Allowed Glycine 0 N--CA 1.412 -2.937 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.083 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -64.73 125.95 26.4 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' 1548 ' ' VAL . 6.5 m -101.44 110.23 22.2 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-O 121.427 0.632 . . . . 0.0 112.574 -168.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -101.09 99.61 10.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.385 174.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.608 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -96.02 120.67 36.72 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 32.3 p90 -90.78 -24.99 20.18 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.162 0.506 . . . . 0.0 110.393 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -152.87 151.58 30.56 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -65.11 120.37 12.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.171 0.92 . . . . 0.0 109.686 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 114.19 -6.98 23.24 Favored Glycine 0 C--N 1.296 -1.655 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.085 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -130.39 -176.68 4.04 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . 169.67 164.46 25.43 Favored Glycine 0 N--CA 1.413 -2.883 0 N-CA-C 107.386 -2.286 . . . . 0.0 107.386 175.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.664 HG21 ' HZ ' ' A' 1638 ' ' PHE . 77.6 t -129.44 112.9 26.01 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 91.7 m-85 -90.75 102.25 15.0 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.8 ptp -120.08 137.48 54.1 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.708 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 7.7 m -112.8 135.48 53.5 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.639 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.8 mm -82.77 99.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' 1516 ' ' CYS . 60.3 m 56.34 94.92 0.02 OUTLIER 'General case' 0 C--O 1.242 0.677 0 C-N-CA 125.042 1.337 . . . . 0.0 111.032 -176.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.61 116.72 1.04 Allowed Glycine 0 C--N 1.304 -1.194 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.109 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -45.72 121.39 3.09 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.263 1.425 . . . . 0.0 113.33 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.672 ' HB2' HG13 ' A' 1563 ' ' VAL . 4.7 m-20 -64.55 138.13 58.23 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.067 0.947 . . . . 0.0 111.28 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.37 -14.52 49.28 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.93 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -70.7 -35.85 72.97 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.272 0.558 . . . . 0.0 111.679 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.041 ' HB2' HG11 ' A' 1563 ' ' VAL . 78.3 m -124.32 169.78 10.04 Favored Pre-proline 0 C--N 1.291 -1.94 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.536 -174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 77.7 Cg_exo -45.59 127.6 9.83 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 112.169 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -45.98 129.7 12.58 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.239 3.292 . . . . 0.0 113.045 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.24 -21.1 8.29 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.982 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.041 HG11 ' HB2' ' A' 1559 ' ' CYS . 10.7 p -80.71 148.53 5.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -115.97 -16.17 6.93 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.744 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.11 135.67 19.47 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 75.7 m -119.39 131.93 55.75 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.661 ' HB2' HG22 ' A' 1574 ' ' VAL . 29.6 t80 -102.17 142.42 33.44 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.47 179.09 43.87 Favored Glycine 0 N--CA 1.413 -2.857 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -84.41 -19.18 33.91 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 15.4 p -90.44 -84.07 0.24 Allowed 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -169.29 33.25 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 74.3 mt -65.8 131.01 31.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 8.6 m -85.34 118.15 24.7 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' 1567 ' ' PHE . 21.3 t -90.87 -29.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-O 121.99 0.9 . . . . 0.0 108.837 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 177.08 161.2 25.32 Favored Glycine 0 N--CA 1.418 -2.543 0 C-N-CA 119.84 -1.171 . . . . 0.0 111.359 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 33.5 mmtp -84.38 152.01 24.33 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.64 82.57 1.13 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.606 0.762 . . . . 0.0 111.597 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.06 111.73 14.26 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.985 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' 1513 ' ' HIS . 56.6 mtpt -85.98 56.58 4.04 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.999 0.904 . . . . 0.0 109.146 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -134.03 84.14 2.09 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.116 -176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' 1588 ' ' LEU . 45.7 tp -74.21 136.46 42.78 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.739 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.444 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 79.9 mtt180 -123.08 156.58 34.64 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.43 ' HD1' HD23 ' A' 1588 ' ' LEU . 17.4 t80 -124.81 106.85 10.35 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 175.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.8 m -138.21 135.81 44.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 45.14 54.4 7.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.729 1.212 . . . . 0.0 112.555 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.39 22.35 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.861 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.6 m -139.58 156.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 91.9 mt -90.63 133.13 35.34 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 176.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 34.5 tt0 -115.22 117.52 30.72 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' 1590 ' ' LEU . 15.3 mt -114.73 119.14 35.66 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.444 HG22 ' HD2' ' A' 1593 ' ' LYS . 8.9 p -118.07 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.857 0.837 . . . . 0.0 110.538 -177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -103.27 108.22 19.35 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.945 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.444 ' HD2' HG22 ' A' 1591 ' ' VAL . 0.0 OUTLIER -114.3 -176.09 2.82 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -178.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.4 m-20 64.83 22.53 12.54 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 172.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.75 -72.44 1.27 Allowed Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 118.935 -1.602 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' 1606 ' ' TYR . 28.0 t -103.66 130.89 22.66 Favored Pre-proline 0 C--N 1.29 -1.983 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.84 48.44 2.9 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 124.28 3.32 . . . . 0.0 110.974 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.425 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 28.9 p -33.39 122.01 0.46 Allowed Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 127.076 2.15 . . . . 0.0 114.755 -173.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 9.7 Cg_exo -74.29 102.68 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.43 2.087 . . . . 0.0 108.531 174.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 22.9 t -151.1 -165.19 2.19 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.372 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -51.2 -52.05 48.05 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 125.044 1.338 . . . . 0.0 111.192 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . 0.634 ' HB2' HD21 ' A' 1604 ' ' LEU . 18.4 m -113.72 -16.46 12.3 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 119.965 -0.694 . . . . 0.0 112.46 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 65.64 48.56 66.43 Favored Glycine 0 C--N 1.347 1.164 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.621 174.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.634 HD21 ' HB2' ' A' 1602 ' ' SER . 1.1 mm? -77.92 -86.05 0.06 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.535 0.683 . . . . 0.0 110.603 -175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1634 ' ' CYS . 70.3 p -167.2 146.69 5.24 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.772 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 15.0 t80 -74.59 47.32 0.31 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 124.53 1.132 . . . . 0.0 110.924 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.577 ' O ' ' HA ' ' A' 1635 ' ' THR . 23.7 pttm -61.09 149.63 36.53 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 125.277 1.431 . . . . 0.0 114.494 -173.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.406 ' HB2' ' CG1' ' A' 1574 ' ' VAL . 33.7 t -118.24 133.42 55.91 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.953 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.414 HG22 HG23 ' A' 1591 ' ' VAL . 93.1 t -114.67 109.1 27.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 16.9 mt -95.1 115.18 33.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 24.0 p -103.13 110.85 22.95 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.805 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.1 m-85 -85.93 113.88 22.4 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.2 t -100.92 134.62 40.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 17.2 t -62.2 116.63 5.16 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.992 0.917 . . . . 0.0 111.609 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -155.72 101.74 2.17 Favored Pre-proline 0 N--CA 1.426 -1.633 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.3 Cg_exo -68.98 -15.35 39.92 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.27 1.98 . . . . 0.0 111.298 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -92.25 20.52 5.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.941 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.533 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -110.62 40.95 1.88 Allowed 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.24 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -71.07 -68.42 1.63 Allowed Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.35 1.52 9.2 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.504 2.136 . . . . 0.0 112.626 178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 5.0 p -117.69 32.74 5.98 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.888 0.851 . . . . 0.0 109.575 177.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.98 71.73 7.46 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.914 -174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -138.97 153.47 71.76 Favored Pre-proline 0 C--N 1.303 -1.436 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.8 Cg_endo -79.62 140.08 14.66 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 122.062 1.841 . . . . 0.0 110.275 174.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 53.2 ttp -127.14 126.32 42.7 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.64 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -73.53 121.19 20.21 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.0 mm -92.35 -57.35 4.38 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 18.6 t -143.27 145.96 33.19 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.64 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -110.45 111.37 22.58 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.505 ' OD1' HG22 ' A' 1633 ' ' THR . 15.1 t70 -91.88 107.87 19.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.3 OUTLIER -78.73 -18.69 53.87 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -176.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -70.31 -53.83 15.16 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.536 ' HA ' HD23 ' A' 1604 ' ' LEU . 10.9 t -98.67 1.41 46.19 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.988 0.899 . . . . 0.0 109.791 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 33.7 m 61.89 76.91 0.35 Allowed 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 113.599 -1.637 . . . . 0.0 109.083 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' 1607 ' ' LYS . 62.7 m -138.88 121.45 16.23 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.669 0.747 . . . . 0.0 112.237 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.5 mp -92.15 107.26 19.08 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.406 175.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.3 m-85 -85.73 110.63 19.46 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.664 ' HZ ' HG21 ' A' 1548 ' ' VAL . 36.5 m-85 -110.8 137.11 48.87 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 33.7 t -113.14 127.77 56.29 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.9 t90 -123.47 110.99 15.78 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.7 m80 -83.16 116.38 22.33 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.3 t -143.37 146.64 36.86 Favored Pre-proline 0 C--N 1.294 -1.827 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.145 -177.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.606 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 7.0 Cg_exo -74.63 -12.96 22.4 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.857 2.372 . . . . 0.0 110.493 174.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.61 -4.03 57.08 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -98.45 -3.21 37.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.417 0.627 . . . . 0.0 110.597 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.0 m -80.2 133.11 35.99 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.665 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.509 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 7.0 pt-20 -84.78 76.65 10.2 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-O 123.297 1.522 . . . . 0.0 110.569 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 1.8 pp -101.43 167.28 10.26 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.81 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . 0.85 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.294 -1.813 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.446 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 84.4 mtp . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -118.59 -27.66 5.85 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 73.9 m 69.94 36.01 2.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.293 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -84.07 9.49 12.42 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.27 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -82.02 -1.97 50.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.501 0.667 . . . . 0.0 110.292 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -127.08 133.88 50.36 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.007 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.32 7.16 12.8 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.95 113.83 25.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.655 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 43.6 t -92.32 69.25 5.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 121.645 0.735 . . . . 0.0 109.775 -175.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.8 pt20 -150.63 135.93 17.85 Favored 'General case' 0 N--CA 1.423 -1.792 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.89 -178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.8 p -135.09 146.11 30.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.5 m -107.74 140.47 40.76 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.912 -0.493 . . . . 0.0 111.174 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.619 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 50.2 t30 -97.32 107.69 40.12 Favored Pre-proline 0 C--O 1.216 -0.664 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.38 -11.37 27.91 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.001 2.468 . . . . 0.0 113.734 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 39.3 t -77.08 -53.89 7.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.932 0.396 . . . . 0.0 110.048 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 56.1 p -97.83 -19.41 18.16 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.353 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.9 8.06 83.03 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' 1648 ' ' LEU . 46.2 t-80 -77.53 131.31 37.82 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.975 0.417 . . . . 0.0 110.852 -176.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -93.62 123.1 36.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.619 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 71.1 m-85 -93.66 106.88 18.81 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -113.22 130.34 56.25 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.496 HD22 HD12 ' A' 1532 ' ' LEU . 71.1 mt -102.74 25.89 8.67 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.773 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -51.05 -38.4 51.29 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.399 1.079 . . . . 0.0 112.96 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.7 m -72.35 -21.6 61.28 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 121.305 0.574 . . . . 0.0 111.236 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.496 HD12 HD22 ' A' 1529 ' ' LEU . 82.9 mt -93.66 0.78 56.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.246 0.546 . . . . 0.0 110.751 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.0 t -80.1 33.64 0.29 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.35 0.66 . . . . 0.0 111.957 -175.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -70.92 101.13 0.9 Allowed Glycine 0 C--O 1.25 1.135 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.81 -9.31 57.23 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.66 63.08 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.319 0.581 . . . . 0.0 111.085 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.81 101.06 2.67 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 119.837 -1.173 . . . . 0.0 114.282 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -68.32 134.9 51.04 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.8 m -101.8 107.58 18.82 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.733 0.778 . . . . 0.0 112.279 -170.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.814 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -96.0 84.21 3.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.688 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -82.2 100.65 9.98 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 3.4 p90 -86.6 -11.65 50.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.651 0.739 . . . . 0.0 109.459 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -129.83 155.96 45.14 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -80.29 110.49 15.77 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.869 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.23 -24.82 9.67 Favored Glycine 0 C--N 1.293 -1.854 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.2 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.791 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 5.8 p-90 -150.84 152.24 33.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 117.513 0.657 . . . . 0.0 111.504 -179.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.688 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -158.77 -164.34 14.19 Favored Glycine 0 N--CA 1.431 -1.648 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.359 -178.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.784 HG21 ' HZ ' ' A' 1638 ' ' PHE . 74.2 t -101.61 134.14 42.91 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.477 0 C-N-CA 124.453 1.101 . . . . 0.0 110.187 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -109.05 99.84 9.1 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 10.4 ptp -115.11 139.99 49.44 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.344 0.592 . . . . 0.0 112.397 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 51.1 m -114.02 119.19 36.33 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.611 HD12 ' HZ ' ' A' 1612 ' ' PHE . 51.3 mm -76.15 105.49 5.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.177 -177.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' 1516 ' ' CYS . 64.1 m 56.65 90.1 0.04 OUTLIER 'General case' 0 C--O 1.241 0.65 0 O-C-N 124.253 0.971 . . . . 0.0 110.784 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.27 116.76 1.06 Allowed Glycine 0 N--CA 1.419 -2.479 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.999 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.605 ' HB3' ' H ' ' A' 1562 ' ' GLY . 32.9 mt-10 -55.94 114.76 2.05 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 124.306 1.042 . . . . 0.0 110.969 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.645 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.7 t-20 -57.46 130.34 45.88 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 125.145 1.378 . . . . 0.0 112.901 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.69 -21.19 30.26 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.14 -0.937 . . . . 0.0 113.146 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.41 -44.65 74.57 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.648 0.737 . . . . 0.0 110.212 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.766 ' HB2' HG11 ' A' 1563 ' ' VAL . 83.2 m -98.61 174.53 3.06 Favored Pre-proline 0 C--N 1.285 -2.219 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 7.0 Cg_endo -52.13 128.16 26.15 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 122.341 2.027 . . . . 0.0 110.923 172.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 50.2 Cg_exo -53.76 136.52 65.66 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 123.937 3.092 . . . . 0.0 113.667 -173.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -31.24 4.65 Favored Glycine 0 N--CA 1.438 -1.168 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' 1559 ' ' CYS . 11.1 p -72.65 143.64 13.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.832 -0.684 . . . . 0.0 109.599 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -103.52 -26.95 6.63 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.32 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -147.92 135.71 20.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 66.6 m -116.6 143.46 45.58 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.523 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 3.4 t80 -126.25 143.92 50.97 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.791 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 84.47 179.08 51.45 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 119.987 -1.101 . . . . 0.0 111.847 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -90.35 -19.98 23.39 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-O 121.163 0.506 . . . . 0.0 109.921 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 19.0 p -84.64 -82.77 0.17 Allowed 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -170.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -169.36 32.69 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 59.6 mt -72.83 112.7 9.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.126 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.8 p -84.04 120.92 26.71 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 17.4 t -90.84 -28.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.902 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.32 169.86 32.31 Favored Glycine 0 N--CA 1.43 -1.748 0 C-N-CA 118.903 -1.618 . . . . 0.0 113.703 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' 1562 ' ' GLY . 23.2 tptm -73.27 142.94 47.21 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 125.481 1.512 . . . . 0.0 108.942 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -75.5 80.33 2.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.082 0.467 . . . . 0.0 110.874 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.53 115.55 14.21 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -93.9 32.9 1.38 Allowed 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.644 0.735 . . . . 0.0 110.744 -172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -106.13 85.61 2.23 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.704 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.4 tp -70.88 128.75 37.08 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.121 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 65.6 mtp180 -116.81 162.72 17.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.558 ' HD1' HD23 ' A' 1588 ' ' LEU . 69.9 t80 -127.49 107.24 9.78 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 172.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 29.5 m -140.73 144.86 26.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 122.636 0.374 . . . . 0.0 110.193 -175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 49.65 45.27 24.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.588 1.155 . . . . 0.0 111.404 176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 63.31 24.05 14.07 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.278 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 29.4 m -142.79 162.16 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 122.925 0.49 . . . . 0.0 109.76 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.896 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 59.5 mt -90.3 137.69 32.14 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 175.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 3.9 tp-100 -120.56 131.17 54.54 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.402 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 1590 ' ' LEU . 13.6 mt -131.16 129.66 42.05 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.071 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.522 HG23 HG22 ' A' 1609 ' ' VAL . 9.2 p -126.92 118.59 50.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.596 0.713 . . . . 0.0 110.615 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.38 105.3 15.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' 1607 ' ' LYS . 0.0 OUTLIER -111.58 177.02 4.79 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 t70 59.98 66.77 0.93 Allowed 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.626 1.204 . . . . 0.0 110.424 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -121.7 -71.95 0.29 Allowed Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 119.895 -1.145 . . . . 0.0 111.263 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.0 t -115.17 136.39 22.65 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.39 48.33 2.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 124.366 3.377 . . . . 0.0 112.099 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.496 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 26.5 p -38.02 145.41 0.32 Allowed Pre-proline 0 C--O 1.252 1.199 0 C-N-CA 127.196 2.198 . . . . 0.0 114.334 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 5.7 Cg_exo -77.55 90.37 1.26 Allowed 'Trans proline' 0 N--CA 1.446 -1.32 0 C-N-CA 122.509 2.139 . . . . 0.0 110.759 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' 1632 ' ' GLN . 16.5 p -123.91 -164.45 1.24 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' 1601 ' ' LYS . 37.4 ttpt -64.16 -52.5 58.74 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 110.476 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 33.8 t -103.03 -24.83 13.61 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.521 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 78.58 47.0 8.29 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.457 ' H ' HD22 ' A' 1604 ' ' LEU . 2.2 mm? -67.35 -85.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 84.4 p -167.34 152.27 7.14 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.97 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 10.8 t80 -75.39 48.12 0.41 Allowed 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 124.204 1.001 . . . . 0.0 111.064 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.8 pttt -60.52 149.86 33.21 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 125.426 1.491 . . . . 0.0 114.853 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.483 ' HB2' HG11 ' A' 1574 ' ' VAL . 37.9 t -113.93 134.89 54.53 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.253 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.522 HG22 HG23 ' A' 1591 ' ' VAL . 94.6 t -117.88 111.56 34.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.1 mt -101.95 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.0 m -104.88 115.27 30.01 Favored 'General case' 0 C--N 1.287 -2.116 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.896 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.3 m-85 -88.17 115.86 25.95 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.395 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 94.9 t -100.93 134.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.475 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.1 t -61.63 130.48 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 30.4 tpt180 -154.83 105.49 2.31 Favored Pre-proline 0 N--CA 1.425 -1.706 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.72 -16.54 42.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.417 2.078 . . . . 0.0 111.864 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -105.33 30.4 5.68 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.489 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.678 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -94.68 41.71 1.09 Allowed 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -76.19 -73.44 1.01 Allowed Glycine 0 C--N 1.301 -1.402 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -75.24 -12.65 21.05 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.107 1.871 . . . . 0.0 112.771 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.0 t -110.15 27.24 9.81 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.956 0.884 . . . . 0.0 110.18 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' 1618 ' ' ALA . 8.3 t-20 -82.49 74.61 9.45 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.039 -1.096 . . . . 0.0 108.039 178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -153.41 155.0 31.33 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.214 -172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.814 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 68.7 Cg_endo -83.64 133.04 5.92 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.51 2.14 . . . . 0.0 110.851 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' 1627 ' ' ILE . 42.4 ttp -119.96 127.74 52.93 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.564 HD21 HD23 ' A' 1629 ' ' LEU . 51.5 tp -81.06 111.24 17.35 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.542 0.687 . . . . 0.0 109.258 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' 1625 ' ' MET . 47.6 mm -84.52 -54.08 9.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.958 -173.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.8 t -146.65 156.26 43.06 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.564 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -120.63 116.32 25.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 179.485 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.63 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 10.6 t70 -92.46 97.9 11.13 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.755 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -79.85 -5.09 54.82 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' 1600 ' ' SER . 98.1 mt-30 -81.35 -49.97 10.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.427 HG22 ' OD1' ' A' 1630 ' ' ASP . 10.8 t -108.78 -0.72 19.79 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.882 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.97 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.1 m 69.47 81.43 0.17 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 124.819 1.325 . . . . 0.0 111.333 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' 1607 ' ' LYS . 87.3 m -140.84 122.91 15.61 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.283 0.564 . . . . 0.0 111.941 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' 1606 ' ' TYR . 6.5 mp -93.74 112.0 23.79 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 175.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 92.0 m-85 -89.47 113.56 24.94 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.784 ' HZ ' HG21 ' A' 1548 ' ' VAL . 74.1 m-85 -112.59 141.22 46.61 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.898 0.38 . . . . 0.0 111.443 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 47.4 t -114.9 123.22 48.6 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.42 ' CZ2' HD22 ' A' 1532 ' ' LEU . 2.2 t90 -113.9 127.55 56.03 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 56.2 m80 -94.72 111.13 22.91 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.98 140.44 18.02 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-O 121.205 0.526 . . . . 0.0 111.064 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' 1618 ' ' ALA . 9.5 Cg_exo -73.54 -12.16 24.65 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.455 2.77 . . . . 0.0 110.808 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.32 -16.95 58.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.561 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.63 -6.38 57.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.1 m -72.35 123.24 22.61 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 121.758 0.79 . . . . 0.0 112.175 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -87.52 75.89 9.05 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.784 1.278 . . . . 0.0 109.598 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' 1525 ' ' HIS . 2.3 pp -117.11 166.59 12.04 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.821 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.345 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.218 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm 65.2 24.25 12.31 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.888 0.743 . . . . 0.0 112.802 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 43.2 t 68.54 164.91 0.24 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.197 0.999 . . . . 0.0 112.501 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -11.76 4.78 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 172.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.85 -42.58 63.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.427 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 17.0 p80 -101.75 8.39 41.5 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.557 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 1.1 t70 -131.14 49.39 2.33 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -172.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.07 148.48 31.02 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.8 t -74.48 74.38 1.94 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.552 0.691 . . . . 0.0 111.267 -174.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.637 ' HB2' HD21 ' A' 1526 ' ' LEU . 4.1 pt20 -145.58 150.58 36.65 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' 1527 ' ' PHE . 10.4 p -146.81 150.93 14.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 174.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.9 m -110.5 143.61 40.59 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.721 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.637 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 51.2 t30 -98.89 109.09 52.43 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.69 -10.72 27.62 Favored 'Trans proline' 0 N--CA 1.482 0.852 0 C-N-CA 123.131 2.554 . . . . 0.0 113.345 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 47.6 m -84.93 -56.1 3.73 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 82.6 p -96.37 -14.56 22.42 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.61 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 78.68 17.48 77.35 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.421 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' 1648 ' ' LEU . 13.0 t-80 -85.46 133.47 34.1 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -91.98 120.07 32.3 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 173.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.637 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 81.4 m-85 -89.17 107.09 18.85 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . 0.42 ' O ' HD13 ' A' 1644 ' ' LEU . 5.6 p-10 -105.51 112.77 25.99 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.247 0.546 . . . . 0.0 109.924 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.99 16.73 25.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.581 0.705 . . . . 0.0 109.811 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.6 m -55.8 -30.57 61.57 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 125.174 1.39 . . . . 0.0 112.52 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 32.3 t -71.48 -21.45 61.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 121.035 0.445 . . . . 0.0 110.879 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -89.48 14.17 12.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.004 0.431 . . . . 0.0 111.911 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 9.3 t -76.2 34.06 0.13 Allowed 'General case' 0 CA--C 1.572 1.791 0 CA-C-O 121.538 0.685 . . . . 0.0 111.316 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -71.49 85.2 0.43 Allowed Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' A' 1551 ' ' SER . 22.5 ptt180 -68.87 -9.23 50.38 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -68.97 -23.27 64.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 121.412 0.625 . . . . 0.0 109.728 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 106.01 100.84 2.67 Favored Glycine 0 N--CA 1.426 -2.022 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.133 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -66.25 129.29 39.32 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 171.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' 1548 ' ' VAL . 14.4 m -101.64 111.61 23.91 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.652 -172.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.1 87.95 3.82 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.17 102.98 15.28 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.212 0.53 . . . . 0.0 109.952 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 2.9 p90 -86.76 -18.41 31.18 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.907 0.861 . . . . 0.0 108.9 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.58 150.08 49.06 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.081 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.36 113.75 17.74 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.98 -28.32 7.37 Favored Glycine 0 C--N 1.3 -1.432 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.302 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.608 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -149.66 126.7 11.24 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.443 0.64 . . . . 0.0 110.763 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -138.22 -177.11 14.97 Favored Glycine 0 N--CA 1.424 -2.144 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.169 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.875 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.4 t -95.24 127.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 C-N-CA 122.373 0.269 . . . . 0.0 110.974 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 70.8 m-85 -104.93 92.22 4.15 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.401 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 11.0 ptp -109.06 145.33 35.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -176.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' 1535 ' ' ARG . 43.7 t -116.57 133.59 55.83 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.629 HD12 ' HZ ' ' A' 1612 ' ' PHE . 49.8 mm -90.87 104.15 15.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' 1579 ' ' LYS . 59.2 m 58.41 89.06 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.86 0.864 . . . . 0.0 111.523 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.69 116.89 1.16 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 109.874 -1.291 . . . . 0.0 109.874 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.609 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.5 pt-20 -54.45 119.91 5.88 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.721 ' HB3' HG13 ' A' 1563 ' ' VAL . 21.6 t-20 -63.29 127.51 31.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.388 -1.733 . . . . 0.0 111.036 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -84.6 -8.79 58.77 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.93 -32.6 65.4 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.327 0.584 . . . . 0.0 110.093 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 85.4 m -114.67 -179.97 0.7 Allowed Pre-proline 0 C--N 1.301 -1.516 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.137 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.708 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 1.0 OUTLIER -46.41 132.08 15.53 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.338 2.692 . . . . 0.0 111.879 172.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 58.6 Cg_exo -53.32 127.29 24.61 Favored 'Trans proline' 0 C--O 1.239 0.559 0 C-N-CA 123.666 2.911 . . . . 0.0 112.557 -176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.17 -23.85 6.77 Favored Glycine 0 N--CA 1.432 -1.592 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.33 148.4 8.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.74 -29.27 3.92 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.974 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -140.62 135.96 32.25 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 72.9 m -117.08 154.68 30.58 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.478 ' HD2' ' HE2' ' A' 1606 ' ' TYR . 8.2 t80 -146.52 159.98 42.72 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.608 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 85.08 179.19 50.96 Favored Glycine 0 N--CA 1.417 -2.62 0 C-N-CA 119.639 -1.267 . . . . 0.0 111.283 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -88.0 -18.84 28.14 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.788 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 23.7 p -90.07 -83.88 0.24 Allowed 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -170.7 32.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.299 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.51 114.58 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 -173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 m -75.35 114.82 14.33 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.914 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.672 HG12 ' HB2' ' A' 1608 ' ' SER . 3.5 t -101.22 33.2 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-O 122.663 1.22 . . . . 0.0 108.843 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 119.07 155.9 9.94 Favored Glycine 0 N--CA 1.432 -1.569 0 CA-C-N 114.763 -1.108 . . . . 0.0 113.093 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1594 ' ' ASP . 75.3 mmtt -76.0 154.99 35.39 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.06 0.544 . . . . 0.0 110.293 176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -74.08 79.76 1.73 Allowed 'General case' 0 C--O 1.253 1.249 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -72.27 145.7 47.72 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.308 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.501 ' HA ' ' SG ' ' A' 1553 ' ' CYS . 45.1 mttp -125.77 14.29 8.04 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-O 122.021 0.915 . . . . 0.0 109.164 -177.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.557 ' NH2' ' HA ' ' A' 1514 ' ' ASP . 17.8 tpp180 -95.91 92.5 6.54 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.613 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' 1588 ' ' LEU . 44.9 tp -71.81 134.85 46.4 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.197 178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 94.0 mtt180 -121.7 159.99 25.43 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.551 ' HD1' HD23 ' A' 1588 ' ' LEU . 77.7 t80 -126.68 107.28 10.04 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.5 m -142.72 146.49 21.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.842 -174.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 30.3 t70 53.41 40.77 31.83 Favored 'General case' 0 C--N 1.308 -1.196 0 C-N-CA 124.097 0.959 . . . . 0.0 111.991 173.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 67.66 22.99 8.86 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.106 1.362 . . . . 0.0 112.875 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 17.6 m -145.86 166.46 9.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.418 . . . . 0.0 110.33 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.904 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 61.4 mt -90.0 138.07 31.81 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 173.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.601 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.52 125.6 49.26 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 17.3 mt -128.07 106.29 8.97 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.793 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.436 HG23 HG22 ' A' 1609 ' ' VAL . 7.4 p -105.94 120.2 56.47 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-O 121.793 0.806 . . . . 0.0 110.695 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.96 97.2 7.81 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.428 ' H ' ' HD3' ' A' 1593 ' ' LYS . 0.0 OUTLIER -93.87 176.09 6.48 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.335 -178.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' 1576 ' ' LYS . 36.7 t70 46.06 70.63 0.36 Allowed 'General case' 0 N--CA 1.472 0.654 0 O-C-N 125.159 1.537 . . . . 0.0 112.629 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -115.63 -72.58 0.52 Allowed Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.885 -1.15 . . . . 0.0 112.922 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 46.2 t -115.64 131.01 23.88 Favored Pre-proline 0 C--N 1.295 -1.766 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.02 47.61 2.55 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.47 2.78 . . . . 0.0 111.885 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 24.9 p -42.68 123.44 2.96 Favored Pre-proline 0 C--O 1.25 1.115 0 C-N-CA 126.378 1.871 . . . . 0.0 113.695 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.28 90.68 0.47 Allowed 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.883 2.389 . . . . 0.0 111.204 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 p -126.48 -165.84 1.5 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.185 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -50.32 60.51 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.226 1.011 . . . . 0.0 110.718 -177.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.0 t -108.93 -33.8 6.82 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.82 46.49 7.77 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 114.47 -1.241 . . . . 0.0 112.455 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.503 ' H ' HD22 ' A' 1604 ' ' LEU . 1.8 mm? -67.26 -81.47 0.03 OUTLIER 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.814 0.34 . . . . 0.0 110.76 -175.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 22.7 t -168.06 149.85 5.33 Favored 'General case' 0 N--CA 1.424 -1.774 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.64 ' HD1' ' SG ' ' A' 1634 ' ' CYS . 12.9 t80 -80.37 49.12 1.09 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 125.443 1.497 . . . . 0.0 109.669 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -70.38 157.73 37.25 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.672 ' HB2' HG12 ' A' 1574 ' ' VAL . 48.0 t -115.49 135.2 54.34 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.815 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.436 HG22 HG23 ' A' 1591 ' ' VAL . 73.3 t -118.79 107.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.61 111.99 33.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.115 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' 1639 ' ' SER . 22.1 p -99.34 115.92 30.32 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.904 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.6 m-85 -89.79 120.81 31.36 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 87.6 t -102.76 135.26 40.93 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.513 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 4.8 t -66.74 118.04 9.73 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.057 177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.401 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 10.0 tpp180 -144.39 99.87 4.87 Favored Pre-proline 0 C--N 1.297 -1.716 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 48.5 Cg_exo -59.87 -23.23 71.69 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.783 2.322 . . . . 0.0 112.172 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -98.55 29.85 3.5 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.889 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.5 ' HA ' ' OG1' ' A' 1621 ' ' THR . . . -100.69 41.19 1.19 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.849 0.357 . . . . 0.0 111.725 -178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -65.21 -67.82 1.88 Allowed Glycine 0 CA--C 1.528 0.879 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.745 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -87.36 -6.66 7.07 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.491 2.127 . . . . 0.0 112.531 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' 1618 ' ' ALA . 3.4 p -106.29 25.9 10.48 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.524 0.678 . . . . 0.0 110.827 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.69 66.17 8.88 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 122.187 0.994 . . . . 0.0 109.421 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -133.65 151.34 76.97 Favored Pre-proline 0 C--N 1.293 -1.855 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.014 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 60.6 Cg_endo -83.38 132.86 6.08 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 122.099 1.866 . . . . 0.0 110.582 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 45.8 ttp -113.55 123.97 51.24 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.637 HD21 HD23 ' A' 1629 ' ' LEU . 56.2 tp -76.05 114.29 14.53 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' 1639 ' ' SER . 51.3 mm -79.12 -55.61 9.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.007 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.3 t -152.41 151.23 30.55 Favored 'General case' 0 N--CA 1.417 -2.08 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.637 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.47 108.4 19.32 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 178.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' 1633 ' ' THR . 29.1 t70 -93.75 105.65 17.67 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.162 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.449 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.49 -4.84 50.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.669 -177.189 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -83.55 -58.46 2.81 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.807 0.443 . . . . 0.0 110.524 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' 1630 ' ' ASP . 6.1 t -90.74 0.01 57.56 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.64 ' SG ' ' HD1' ' A' 1606 ' ' TYR . 2.1 t 62.83 50.02 3.46 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 113.78 -1.555 . . . . 0.0 109.714 175.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 32.5 m -126.78 137.41 53.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.356 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' 1629 ' ' LEU . 7.3 mp -94.38 130.27 40.77 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -106.66 111.4 23.93 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.875 ' HZ ' HG21 ' A' 1548 ' ' VAL . 69.0 m-85 -111.46 145.03 39.72 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.472 ' HB3' HD11 ' A' 1627 ' ' ILE . 32.6 t -124.23 113.44 18.29 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -104.12 128.48 51.78 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 42.7 m80 -93.73 113.14 25.14 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 3.0 t -142.85 142.79 23.22 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-O 121.043 0.449 . . . . 0.0 110.929 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 6.7 Cg_exo -75.48 -12.79 20.59 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.056 2.504 . . . . 0.0 111.425 176.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' 1528 ' ' ASP . 91.1 mt -77.71 -17.28 57.8 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.342 0.592 . . . . 0.0 110.338 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -87.49 -0.62 57.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.511 ' HB3' HD13 ' A' 1648 ' ' LEU . 90.8 m -74.71 125.78 29.45 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.769 0.795 . . . . 0.0 112.985 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.3 OUTLIER -85.07 77.47 10.08 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 122.461 1.124 . . . . 0.0 111.004 179.035 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' 1525 ' ' HIS . 9.6 mp -97.76 166.99 11.21 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.713 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.893 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.646 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . 0.423 ' HB3' ' HG ' ' A' 1526 ' ' LEU . 71.0 mtm . . . . . 0 C--O 1.241 0.633 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 94.6 mttt 74.82 178.5 0.21 Allowed 'General case' 0 C--O 1.251 1.163 0 C-N-CA 124.93 1.292 . . . . 0.0 111.642 175.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' 1512 ' ' GLU . 18.4 m 71.0 96.07 0.07 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 110.737 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.06 28.82 0.09 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' 1510 ' ' SER . 36.9 mt-10 -77.46 -26.63 51.59 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 174.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -75.32 126.97 32.1 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.9 t0 -87.15 52.28 2.47 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.65 1.214 . . . . 0.0 109.187 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -121.05 159.72 25.09 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' 1553 ' ' CYS . 15.7 t -77.3 82.68 3.77 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.345 0.593 . . . . 0.0 111.585 -171.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.712 ' HB2' HD21 ' A' 1526 ' ' LEU . 2.9 pt20 -146.06 154.06 41.42 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.618 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.403 HG13 ' HD2' ' A' 1527 ' ' PHE . 12.8 p -152.16 145.74 15.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 172.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.1 m -106.59 139.67 40.67 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 120.999 0.428 . . . . 0.0 110.352 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.714 ' HB2' ' HE2' ' A' 1527 ' ' PHE . 37.4 t30 -93.54 112.1 55.22 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.61 -16.85 57.39 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 122.952 2.435 . . . . 0.0 113.21 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -58.73 3.05 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.668 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 77.7 p -90.91 -16.64 27.79 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.329 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.31 16.13 78.84 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.683 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 18.5 t60 -88.76 138.52 31.35 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.712 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.2 tm? -95.29 125.49 39.96 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.714 ' HE2' ' HB2' ' A' 1520 ' ' ASN . 79.8 m-85 -97.01 112.86 24.42 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -110.87 113.96 26.94 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.63 12.55 36.21 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.8 m -64.17 -14.94 58.54 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -75.83 -16.9 60.01 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.701 -0.624 . . . . 0.0 110.423 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.8 13.85 19.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 58.1 p -76.63 32.28 0.13 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -65.29 92.72 0.15 Allowed Glycine 0 CA--C 1.496 -1.138 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' 1557 ' ' GLU . 16.9 ptp180 -68.8 -9.81 53.18 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.52 61.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.366 0.603 . . . . 0.0 109.959 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 100.14 100.18 2.32 Favored Glycine 0 N--CA 1.424 -2.136 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.891 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -66.55 131.91 47.06 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 9.6 m -101.38 116.63 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-O 121.505 0.669 . . . . 0.0 112.142 -168.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.714 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -100.66 91.23 4.55 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 174.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.479 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -88.98 129.55 35.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 9.3 p90 -117.12 -9.45 11.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.725 0.774 . . . . 0.0 109.91 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -136.1 161.91 34.39 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -80.34 107.46 13.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 123.255 0.347 . . . . 0.0 111.252 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.58 -17.51 16.0 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.234 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.428 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.7 p-90 -152.01 140.12 20.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.642 0.734 . . . . 0.0 111.926 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -149.53 -162.15 10.22 Favored Glycine 0 N--CA 1.421 -2.367 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.516 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -112.35 123.2 67.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 C-N-CA 122.655 0.382 . . . . 0.0 111.643 -178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.543 ' HE2' ' HA ' ' A' 1569 ' ' GLN . 78.3 m-85 -92.93 104.19 16.44 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 9.8 ptp -119.62 142.49 48.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 19.6 m -116.8 129.68 56.25 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.607 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.5 mm -87.34 105.47 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.542 0.211 . . . . 0.0 110.619 -175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.873 ' HB3' ' HG2' ' A' 1579 ' ' LYS . 80.7 m 57.27 89.16 0.05 OUTLIER 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.217 1.007 . . . . 0.0 110.904 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.6 116.76 1.1 Allowed Glycine 0 C--N 1.307 -1.063 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.002 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.586 ' HB3' ' H ' ' A' 1562 ' ' GLY . 1.4 mm-40 -48.05 117.17 1.79 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 125.254 1.422 . . . . 0.0 112.188 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.739 ' HB3' HG13 ' A' 1563 ' ' VAL . 26.8 t-20 -67.82 128.69 37.41 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 124.134 0.974 . . . . 0.0 111.293 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' 1535 ' ' ARG . 9.7 pt-20 -85.4 -9.88 56.96 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.788 -178.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.31 -37.61 60.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.761 0.791 . . . . 0.0 109.822 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 1.033 ' HB2' HG11 ' A' 1563 ' ' VAL . 73.0 m -106.67 -178.07 0.55 Allowed Pre-proline 0 C--N 1.289 -2.061 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 174.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.725 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 5.2 Cg_endo -50.65 127.31 20.47 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 121.688 1.592 . . . . 0.0 110.978 174.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.63 130.08 28.97 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 123.555 2.836 . . . . 0.0 112.142 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.586 ' H ' ' HB3' ' A' 1555 ' ' GLU . . . 123.67 -28.0 5.58 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 1.033 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.4 p -71.96 153.84 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -109.55 -27.01 4.87 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.683 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.676 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -149.33 142.67 25.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' 1548 ' ' VAL . 62.9 m -120.75 125.89 48.75 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 122.875 0.47 . . . . 0.0 109.786 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' A' 1572 ' ' ILE . 7.1 t80 -96.17 126.88 41.7 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 87.33 179.41 48.3 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -178.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.543 ' HA ' ' HE2' ' A' 1549 ' ' TYR . 26.0 mt-30 -89.49 -19.99 24.4 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 117.233 0.517 . . . . 0.0 111.001 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.4 p -75.2 -84.21 0.05 Allowed 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -170.47 32.15 0.02 OUTLIER 'General case' 0 C--O 1.244 0.793 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' A' 1567 ' ' PHE . 66.0 mt -68.85 104.99 0.93 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.0 m -73.39 112.31 9.33 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 121.116 0.484 . . . . 0.0 110.914 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.779 HG12 ' HB2' ' A' 1608 ' ' SER . 2.8 t -93.23 33.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-O 122.649 1.214 . . . . 0.0 108.8 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 111.79 154.11 12.57 Favored Glycine 0 N--CA 1.423 -2.213 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.893 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 96.8 mttt -89.99 148.44 23.08 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.82 139.1 46.78 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.797 -173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.96 151.16 40.62 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.873 ' HG2' ' HB3' ' A' 1553 ' ' CYS . 67.2 mttm -104.5 38.18 1.95 Allowed 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 120.951 0.405 . . . . 0.0 110.118 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -102.33 82.65 2.21 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.771 0.796 . . . . 0.0 109.431 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -78.65 131.53 36.71 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.458 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.637 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 64.7 mtp180 -118.02 162.89 17.44 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.333 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.629 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.8 t80 -130.58 107.86 9.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.0 m -136.54 142.29 38.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.306 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 47.49 41.99 13.83 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.105 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.693 HE21 ' N ' ' A' 1586 ' ' GLN . 0.0 OUTLIER 64.97 26.0 12.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.548 177.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 32.9 m -138.44 159.4 31.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 70.9 mt -90.09 139.67 30.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.637 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 6.4 tp-100 -119.97 129.75 54.44 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 120.851 0.357 . . . . 0.0 111.76 -173.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.459 HD12 ' CZ ' ' A' 1612 ' ' PHE . 15.1 mt -133.49 121.65 22.5 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.531 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.489 HG23 HG22 ' A' 1609 ' ' VAL . 7.5 p -120.46 119.7 60.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.172 0.51 . . . . 0.0 110.177 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -103.47 119.18 38.39 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' 1593 ' ' LYS . 0.0 OUTLIER -121.87 178.68 4.78 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.18 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.1 m-20 52.15 64.17 1.96 Allowed 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.583 1.153 . . . . 0.0 112.65 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -113.87 -71.86 0.56 Allowed Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.737 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.512 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 28.4 t -115.18 130.04 24.58 Favored Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' 1596 ' ' SER . 5.9 Cg_exo -78.6 48.61 2.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.57 3.513 . . . . 0.0 112.837 -177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.408 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 20.3 p -50.27 121.68 14.03 Favored Pre-proline 0 C--O 1.249 1.057 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.28 113.88 2.43 Favored 'Trans proline' 0 C--O 1.244 0.814 0 C-N-CA 122.773 2.315 . . . . 0.0 109.738 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 18.6 m -138.34 -175.08 3.99 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -51.26 64.16 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.16 0.584 . . . . 0.0 110.058 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 42.4 t -98.7 -36.55 9.81 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 82.52 48.87 5.41 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.208 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.447 ' H ' HD22 ' A' 1604 ' ' LEU . 2.1 mm? -68.6 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.226 0.536 . . . . 0.0 110.496 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 23.0 t -168.18 161.81 12.57 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' 1574 ' ' VAL . 0.1 OUTLIER -72.66 48.17 0.19 Allowed 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 125.32 1.448 . . . . 0.0 111.278 179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.449 ' HG3' HG23 ' A' 1635 ' ' THR . 64.7 pttt -66.77 155.81 37.16 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -173.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.779 ' HB2' HG12 ' A' 1574 ' ' VAL . 23.1 t -118.68 136.76 53.75 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.223 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.489 HG22 HG23 ' A' 1591 ' ' VAL . 98.0 t -121.51 111.98 33.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 14.8 mt -106.47 113.95 44.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 122.78 0.432 . . . . 0.0 110.498 -173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' A' 1639 ' ' SER . 33.1 p -99.89 113.7 26.41 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 176.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.855 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.6 m-85 -87.14 119.75 27.7 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' 1641 ' ' HIS . 58.6 t -109.73 136.74 44.75 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.202 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.262 -176.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.0 t -61.94 124.41 20.7 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.262 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 5.1 tpp180 -145.7 98.6 4.49 Favored Pre-proline 0 C--N 1.299 -1.625 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.67 -21.83 70.72 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.591 2.194 . . . . 0.0 111.874 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -100.71 30.72 3.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.338 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -93.9 41.53 1.09 Allowed 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -69.8 -73.19 0.77 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.87 -7.92 10.26 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.352 2.035 . . . . 0.0 112.024 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.8 p -107.41 24.07 13.45 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.463 0.705 . . . . 0.0 111.198 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.3 t-20 -79.51 74.61 6.15 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -148.42 155.35 42.43 Favored Pre-proline 0 C--N 1.295 -1.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.814 -172.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.714 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 71.7 Cg_endo -86.04 139.6 6.36 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 122.722 2.281 . . . . 0.0 110.924 174.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 43.2 ttp -122.91 132.63 54.26 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.598 HD21 HD23 ' A' 1629 ' ' LEU . 50.3 tp -78.53 115.13 18.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' 1639 ' ' SER . 45.8 mm -87.38 -49.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.488 -173.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 24.3 p -148.81 149.02 30.63 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.131 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.598 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -114.55 110.62 20.09 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.467 ' OD2' HG22 ' A' 1633 ' ' THR . 25.2 t70 -98.54 104.69 16.75 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.604 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.746 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.0 OUTLIER -78.56 -0.54 30.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.015 -179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -83.75 -55.74 4.09 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.467 HG22 ' OD2' ' A' 1630 ' ' ASP . 7.2 t -97.17 2.12 50.66 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.835 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 8.9 t 64.01 59.6 1.08 Allowed 'General case' 0 C--O 1.206 -1.233 0 C-N-CA 124.929 1.292 . . . . 0.0 108.786 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.449 HG23 ' HG3' ' A' 1607 ' ' LYS . 46.3 m -135.06 136.72 42.26 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.609 -0.682 . . . . 0.0 112.364 -173.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' 1629 ' ' LEU . 8.7 mp -97.65 121.33 39.43 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.489 177.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -99.0 116.58 31.55 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.722 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' 1548 ' ' VAL . 72.2 m-85 -116.62 153.13 32.82 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.063 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' 1611 ' ' SER . 34.1 t -130.03 126.82 38.63 Favored 'General case' 0 N--CA 1.416 -2.174 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 173.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -111.15 128.29 55.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.416 ' HD2' ' HB ' ' A' 1613 ' ' VAL . 55.3 m170 -94.4 110.61 22.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.9 t -142.13 144.24 30.93 Favored Pre-proline 0 C--N 1.306 -1.315 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.711 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' 1642 ' ' THR . 6.8 Cg_exo -76.08 -12.9 19.4 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.071 2.514 . . . . 0.0 111.02 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 85.9 mt -77.87 -11.03 59.85 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.09 -4.66 48.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.991 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 74.5 m -72.4 121.5 19.65 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.315 0.578 . . . . 0.0 112.191 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' 1647 ' ' GLU . 0.2 OUTLIER -83.78 76.8 9.97 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-O 122.592 1.187 . . . . 0.0 111.421 -178.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.04 167.09 10.35 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.78 0 CA-C-N 118.776 0.717 . . . . 0.0 110.167 -178.267 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 C--O 1.246 0.908 0 CA-C-O 120.608 0.242 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.92 -40.17 96.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.061 0.458 . . . . 0.0 110.663 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.4 t -92.16 29.34 1.66 Allowed 'General case' 0 N--CA 1.435 -1.188 0 CA-C-O 121.635 0.731 . . . . 0.0 109.383 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -124.52 -45.04 1.95 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.86 -57.85 6.96 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 57.1 m80 65.95 151.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.342 1.057 . . . . 0.0 112.334 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -112.61 39.6 2.45 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 172.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -142.98 160.18 40.84 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 2.1 t -85.38 66.55 9.75 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.825 0.821 . . . . 0.0 110.013 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.9 pt20 -154.14 147.12 24.5 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.112 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 10.6 p -144.47 154.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -102.31 144.45 30.8 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 120.907 0.384 . . . . 0.0 110.415 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.693 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 36.9 t30 -96.84 115.0 65.53 Favored Pre-proline 0 C--N 1.305 -1.338 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 172.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.42 -10.8 28.81 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.362 2.041 . . . . 0.0 112.82 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.2 m -83.91 -43.21 15.51 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.982 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.435 ' HB ' ' OXT' ' A' 1649 ' ' ALA . 46.5 p -105.86 -23.43 12.69 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.573 0.702 . . . . 0.0 111.388 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 84.87 17.6 63.04 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -174.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -86.18 137.12 32.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.459 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.62 122.03 37.94 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.693 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 56.3 m-85 -98.29 106.76 19.08 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -106.02 120.82 42.76 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 90.1 mt -102.78 22.48 13.67 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 19.6 m -66.74 -16.58 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.312 0.577 . . . . 0.0 111.753 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.1 m -65.75 -33.91 76.96 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.779 0.8 . . . . 0.0 109.734 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.95 13.32 20.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.432 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 10.0 t -81.08 33.78 0.34 Allowed 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 121.592 0.71 . . . . 0.0 111.887 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -74.86 103.07 1.5 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -68.14 -9.39 46.24 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 112.76 -175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -69.26 -26.36 64.73 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.497 0.665 . . . . 0.0 110.574 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 105.81 100.2 2.64 Favored Glycine 0 N--CA 1.422 -2.263 0 CA-C-N 115.322 -0.854 . . . . 0.0 113.933 174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -66.24 125.58 26.03 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' 1548 ' ' VAL . 15.6 m -102.83 107.84 18.85 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -168.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -90.13 87.58 6.93 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.505 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -86.48 95.52 9.74 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.489 ' HE1' ' HE1' ' A' 1567 ' ' PHE . 5.8 p90 -86.42 -11.79 50.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.669 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -134.07 156.11 48.83 Favored 'General case' 0 N--CA 1.426 -1.66 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -79.6 109.06 13.63 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.072 0.463 . . . . 0.0 111.204 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.89 -28.27 7.43 Favored Glycine 0 N--CA 1.43 -1.718 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.8 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.451 ' HB2' ' HA2' ' A' 1568 ' ' GLY . 1.6 p-90 -145.03 138.88 27.04 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.561 0.696 . . . . 0.0 111.683 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -147.5 -168.72 14.24 Favored Glycine 0 N--CA 1.418 -2.536 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.242 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.806 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.3 t -103.77 123.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 123.416 0.687 . . . . 0.0 110.558 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.609 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 49.3 m-85 -100.93 96.33 7.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 11.5 ptp -111.26 146.78 36.37 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.418 ' HB2' ' ND2' ' A' 1556 ' ' ASN . 48.0 t -115.08 133.93 55.61 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 174.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.605 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.2 mm -84.39 93.97 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-O 121.802 0.81 . . . . 0.0 110.1 -178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 58.2 m 63.96 89.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 125.672 1.589 . . . . 0.0 111.445 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.41 116.2 1.12 Allowed Glycine 0 C--N 1.302 -1.324 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' A' 1562 ' ' GLY . 11.1 pt-20 -44.22 129.36 6.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.52 ' HB2' HG13 ' A' 1563 ' ' VAL . 17.4 m120 -69.64 132.78 46.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.098 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -79.96 -16.05 56.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 48.2 t30 -66.36 -29.16 69.28 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.243 -177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 84.1 m -132.09 175.07 3.99 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.426 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 79.1 Cg_exo -49.3 128.44 20.14 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.959 2.439 . . . . 0.0 112.473 176.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 79.8 Cg_exo -46.3 128.08 11.79 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 124.756 3.637 . . . . 0.0 113.683 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.474 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 118.44 -21.58 9.86 Favored Glycine 0 N--CA 1.435 -1.428 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.5 p -74.06 140.53 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-O 121.01 0.433 . . . . 0.0 110.63 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -110.77 -12.02 17.53 Favored Glycine 0 C--N 1.319 -0.373 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.436 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -157.52 135.29 10.7 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 58.8 m -114.17 144.97 42.31 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.526 ' O ' ' HB ' ' A' 1572 ' ' ILE . 2.2 t80 -132.89 130.42 39.66 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' 1546 ' ' TRP . . . 84.09 178.16 51.57 Favored Glycine 0 N--CA 1.429 -1.83 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.786 175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -90.88 -19.8 22.96 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.24 -0.48 . . . . 0.0 111.274 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.6 p -77.55 -82.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -174.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -168.69 23.98 0.02 OUTLIER 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' 1567 ' ' PHE . 61.5 mt -68.15 107.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.717 -177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 9.4 m -87.64 125.26 34.27 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' 1565 ' ' ALA . 29.8 t -90.21 -29.39 4.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 C-N-CA 118.896 -1.122 . . . . 0.0 111.59 -173.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 176.84 170.81 39.79 Favored Glycine 0 N--CA 1.423 -2.196 0 C-N-CA 119.036 -1.554 . . . . 0.0 112.746 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -83.28 139.46 33.07 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.878 0.871 . . . . 0.0 109.881 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' 1592 ' ' TYR . . . -74.49 99.06 3.47 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.088 -177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.69 159.1 15.19 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.69 65.24 1.03 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 122.735 1.255 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.45 81.99 2.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 113.016 -1.902 . . . . 0.0 108.508 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.6 tp -72.86 133.27 44.35 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.792 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 95.8 mtt180 -114.73 164.53 13.94 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.743 ' HD1' HD23 ' A' 1588 ' ' LEU . 70.1 t80 -136.7 107.98 6.83 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' 1589 ' ' GLN . 27.2 m -138.01 137.15 44.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.041 -175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.4 t70 53.78 42.95 31.63 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 122.595 1.188 . . . . 0.0 110.965 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.32 23.37 12.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.826 1.65 . . . . 0.0 113.765 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' 1584 ' ' VAL . 17.9 m -131.41 159.53 42.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.862 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 88.1 mt -90.1 138.49 31.47 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 0.0 OUTLIER -121.15 125.19 46.57 Favored 'General case' 0 C--N 1.286 -2.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 -173.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 14.8 mt -128.06 132.07 49.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' 1593 ' ' LYS . 8.2 p -126.67 124.55 65.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-O 121.189 0.519 . . . . 0.0 110.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.442 ' CE1' ' HA ' ' A' 1577 ' ' ALA . 60.3 m-85 -109.55 111.53 23.09 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.747 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.493 ' HD2' HG13 ' A' 1591 ' ' VAL . 0.0 OUTLIER -121.34 170.27 9.78 Favored 'General case' 0 N--CA 1.435 -1.222 0 O-C-N 123.631 0.582 . . . . 0.0 110.756 -175.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 63.31 58.79 1.34 Allowed 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.019 1.328 . . . . 0.0 114.264 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -111.83 -72.09 0.63 Allowed Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 172.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.48 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 39.2 m -101.12 131.14 23.61 Favored Pre-proline 0 C--N 1.301 -1.539 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1596 ' ' SER . 3.3 Cg_endo -85.1 48.85 2.4 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 124.566 3.51 . . . . 0.0 111.959 -178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 28.4 p -45.13 145.55 1.72 Allowed Pre-proline 0 C--O 1.258 1.504 0 C-N-CA 125.197 1.399 . . . . 0.0 112.569 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 3.0 Cg_exo -76.7 90.23 1.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.56 0 C-N-CA 122.072 1.848 . . . . 0.0 109.711 175.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.52 ' HB3' ' SG ' ' A' 1634 ' ' CYS . 5.3 p -107.38 173.96 6.09 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.638 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.93 -51.95 62.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.61 0.569 . . . . 0.0 111.185 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 67.0 m -96.85 -5.07 39.13 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.859 -0.737 . . . . 0.0 112.746 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.65 49.12 25.55 Favored Glycine 0 C--N 1.335 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.654 177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' 1604 ' ' LEU . 1.4 mm? -78.23 -94.43 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.051 0.453 . . . . 0.0 111.162 -175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 90.4 p -168.19 162.76 13.05 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.927 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 14.1 t80 -79.13 47.93 0.82 Allowed 'General case' 0 C--O 1.212 -0.909 0 C-N-CA 123.475 0.71 . . . . 0.0 111.222 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' 1635 ' ' THR . 58.4 pttt -62.73 154.24 30.15 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -174.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.484 ' OG ' HG11 ' A' 1574 ' ' VAL . 73.9 m -124.86 142.8 51.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.805 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 91.9 t -116.79 123.3 71.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 115.151 -0.932 . . . . 0.0 109.076 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 12.3 mt -105.21 119.76 54.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 m -109.08 110.81 22.16 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.862 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 70.9 m-85 -88.28 114.75 25.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.3 t -105.42 143.04 17.23 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 13.2 t -63.05 125.9 25.57 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.046 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 8.9 tpt180 -148.43 100.94 3.54 Favored Pre-proline 0 N--CA 1.423 -1.824 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 174.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.55 -23.62 71.77 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.789 2.326 . . . . 0.0 112.601 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.58 9.14 33.38 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -90.42 40.58 1.02 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -77.83 -69.37 1.4 Allowed Glycine 0 N--CA 1.437 -1.283 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.69 -10.87 18.57 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.255 1.97 . . . . 0.0 112.412 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 8.8 p -113.94 31.81 6.29 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.978 0.894 . . . . 0.0 111.074 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.39 75.64 7.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.703 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -136.44 152.69 75.34 Favored Pre-proline 0 C--N 1.312 -1.061 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.282 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.49 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 71.9 Cg_endo -85.95 141.38 7.25 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 123.0 2.466 . . . . 0.0 110.483 172.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 44.1 ttp -132.26 130.82 41.41 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 42.0 tp -76.79 121.8 23.86 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.0 mm -94.32 -47.33 13.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.729 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 16.4 t -154.55 158.46 39.84 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.574 ' CD2' ' HG ' ' A' 1636 ' ' LEU . 0.2 OUTLIER -121.07 115.44 23.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -179.106 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.614 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 12.1 t70 -96.29 97.91 9.87 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.778 ' H ' ' HD2' ' A' 1631 ' ' LYS . 0.0 OUTLIER -80.67 2.32 26.38 Favored 'General case' 0 C--N 1.286 -2.183 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.553 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -85.88 -47.06 10.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 120.874 0.368 . . . . 0.0 111.294 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.424 HG22 ' OD1' ' A' 1630 ' ' ASP . 9.6 t -108.81 5.37 24.54 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.096 0.474 . . . . 0.0 110.082 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.927 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 94.9 m 59.87 72.14 0.54 Allowed 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.794 -177.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' 1607 ' ' LYS . 49.9 m -135.67 118.28 15.96 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.453 0.644 . . . . 0.0 111.457 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 6.2 mp -88.49 125.84 34.95 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 95.4 m-85 -99.73 110.62 23.0 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.355 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' 1548 ' ' VAL . 92.9 m-85 -108.57 141.49 40.42 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.319 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 24.9 t -123.75 122.31 37.73 Favored 'General case' 0 N--CA 1.409 -2.483 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.3 t90 -109.92 130.17 55.56 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -94.62 113.69 25.54 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.4 t -142.74 142.47 22.79 Favored Pre-proline 0 C--N 1.306 -1.3 0 CA-C-O 121.367 0.603 . . . . 0.0 111.209 -177.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1642 ' ' THR . 11.2 Cg_exo -74.22 -12.08 23.16 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.476 2.784 . . . . 0.0 110.802 175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.03 -4.45 58.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.019 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -99.22 1.1 44.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.419 0.628 . . . . 0.0 109.904 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 77.5 m -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.64 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.402 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 15.9 pt-20 -75.74 76.61 2.7 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 122.978 1.37 . . . . 0.0 110.668 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.44 163.99 27.12 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.815 -1.538 . . . . 0.0 110.887 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . 0.435 ' OXT' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--O 1.254 1.294 0 O-C-N 125.058 1.474 . . . . 0.0 110.741 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 CA--C 1.492 -1.257 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 55.24 50.81 14.27 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 123.883 0.739 . . . . 0.0 110.231 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 22.9 t -64.85 98.17 0.26 Allowed 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.374 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' 1515 ' ' ASP . 2.9 t-20 -135.04 36.82 3.03 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.778 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -99.46 -29.82 12.53 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.663 -0.648 . . . . 0.0 110.824 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 20.5 t60 -75.52 -48.88 20.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.273 0.559 . . . . 0.0 110.07 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -102.11 50.87 0.83 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 122.157 0.98 . . . . 0.0 109.348 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . 0.648 ' HB2' ' O ' ' A' 1511 ' ' ASN . 31.2 t70 -108.21 158.31 17.56 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.831 -1.531 . . . . 0.0 108.883 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.4 p -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 122.182 0.992 . . . . 0.0 111.224 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' 1526 ' ' LEU . 10.5 pt20 -137.96 136.04 36.59 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.241 177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.488 HG13 ' HD2' ' A' 1527 ' ' PHE . 14.6 p -137.41 144.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 25.4 m -100.99 139.24 36.95 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 120.842 0.354 . . . . 0.0 111.584 -173.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.566 ' HB2' ' CZ ' ' A' 1527 ' ' PHE . 35.5 t30 -84.74 113.73 51.19 Favored Pre-proline 0 CA--C 1.512 -0.503 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 172.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.61 -10.73 27.54 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.237 2.624 . . . . 0.0 113.298 -177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . 0.432 ' HB3' HD21 ' A' 1520 ' ' ASN . 42.8 t -85.67 -61.62 1.72 Allowed 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.776 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.441 ' H ' ' ND2' ' A' 1520 ' ' ASN . 62.9 p -93.16 -15.53 25.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.542 . . . . 0.0 111.937 -176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.28 10.91 84.1 Favored Glycine 0 N--CA 1.435 -1.394 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.949 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -79.93 131.77 35.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' 1517 ' ' GLN . 3.1 tm? -89.65 122.22 32.57 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' 1520 ' ' ASN . 40.5 m-85 -86.78 106.04 17.41 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.4 104.72 16.61 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.022 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 64.2 mt -101.61 3.88 40.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 1.4 m -63.57 -25.14 68.1 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.571 1.148 . . . . 0.0 109.899 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 2.5 p -73.92 -16.6 61.1 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 121.597 0.713 . . . . 0.0 111.482 176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.489 ' O ' ' HB ' ' A' 1552 ' ' ILE . 95.6 mt -92.1 14.63 15.45 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 123.603 0.761 . . . . 0.0 111.326 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' 1552 ' ' ILE . 11.6 p -60.92 35.39 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 126.474 1.91 . . . . 0.0 115.622 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -64.67 77.48 0.06 OUTLIER Glycine 0 C--O 1.245 0.824 0 C-N-CA 124.111 0.862 . . . . 0.0 112.932 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -67.4 -10.27 49.6 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 125.526 1.53 . . . . 0.0 112.385 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.91 61.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-O 121.147 0.499 . . . . 0.0 110.345 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 104.69 100.93 2.65 Favored Glycine 0 N--CA 1.438 -1.215 0 CA-C-N 115.745 -0.661 . . . . 0.0 114.158 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -71.42 133.4 45.9 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 174.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' 1548 ' ' VAL . 17.1 m -102.04 107.98 19.26 Favored 'General case' 0 C--N 1.283 -2.322 0 C-N-CA 119.936 -0.706 . . . . 0.0 111.296 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -91.34 84.25 5.58 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 174.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.54 ' HA ' ' HA3' ' A' 1547 ' ' GLY . . . -87.96 96.06 10.35 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.588 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 10.7 p90 -86.0 -20.72 28.44 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -126.95 146.66 50.24 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-N 115.503 -0.771 . . . . 0.0 108.98 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -75.18 115.19 14.54 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.886 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.47 -29.29 7.05 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.592 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.763 ' HE3' ' HA2' ' A' 1568 ' ' GLY . 1.1 p-90 -151.98 127.34 9.95 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.704 0.764 . . . . 0.0 112.321 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' 1541 ' ' ALA . . . -136.86 -177.91 15.4 Favored Glycine 0 N--CA 1.422 -2.238 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.818 178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.859 HG21 ' HZ ' ' A' 1638 ' ' PHE . 69.7 t -95.11 127.35 47.16 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 C-N-CA 122.476 0.31 . . . . 0.0 110.997 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.667 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 88.5 m-85 -98.91 93.14 5.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 176.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 12.3 ptm -119.99 142.31 48.91 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -171.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 70.2 m -117.99 135.02 54.42 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.579 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.5 mm -89.01 106.58 17.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.9 t 56.2 88.22 0.05 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.293 0.996 . . . . 0.0 111.465 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 143.16 116.5 1.15 Allowed Glycine 0 N--CA 1.423 -2.204 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.622 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.4 pt-20 -52.6 124.83 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.763 0.792 . . . . 0.0 112.787 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.585 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.1 t-20 -66.22 123.04 18.84 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.638 -176.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -84.58 -13.36 51.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.939 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 -46.01 73.49 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.434 0.635 . . . . 0.0 109.678 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.718 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.0 m -97.41 -178.37 0.72 Allowed Pre-proline 0 C--N 1.291 -1.952 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.713 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 8.6 Cg_endo -53.67 127.1 24.09 Favored 'Trans proline' 0 C--N 1.369 1.622 0 C-N-CA 121.475 1.45 . . . . 0.0 110.108 172.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 52.8 Cg_exo -55.35 134.36 63.43 Favored 'Trans proline' 0 C--O 1.243 0.755 0 C-N-CA 123.642 2.895 . . . . 0.0 113.294 -173.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.622 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 123.35 -27.97 5.66 Favored Glycine 0 C--N 1.301 -1.372 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.718 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' 1559 ' ' CYS . 12.3 p -72.46 145.43 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' 1577 ' ' ALA . . . -100.71 -26.52 8.0 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.372 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.683 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.01 140.35 20.48 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 57.5 m -116.52 141.66 47.9 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.485 ' HB2' ' CG2' ' A' 1574 ' ' VAL . 40.8 t80 -132.62 153.6 50.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.763 ' HA2' ' HE3' ' A' 1546 ' ' TRP . . . 97.66 178.58 33.74 Favored Glycine 0 N--CA 1.419 -2.45 0 C-N-CA 119.447 -1.359 . . . . 0.0 112.363 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.524 ' HG2' ' HB3' ' A' 1546 ' ' TRP . 24.0 mt-30 -83.18 -23.54 32.85 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.181 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 55.2 p -91.43 -83.72 0.27 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 119.254 -0.978 . . . . 0.0 113.556 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -170.86 34.18 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.731 0.812 . . . . 0.0 112.588 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' 1567 ' ' PHE . 78.4 mt -55.0 131.48 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 42.8 m -89.47 117.28 28.27 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.306 0.574 . . . . 0.0 111.206 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.686 HG12 ' HB2' ' A' 1608 ' ' SER . 2.5 t -98.76 33.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-O 122.133 0.968 . . . . 0.0 109.531 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 120.07 157.8 10.35 Favored Glycine 0 N--CA 1.425 -2.071 0 C-N-CA 119.93 -1.129 . . . . 0.0 114.737 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' 1562 ' ' GLY . 56.4 tptt -76.24 133.93 39.96 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 126.19 1.796 . . . . 0.0 108.433 175.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . 0.429 ' HB2' ' HA2' ' A' 1564 ' ' GLY . . . -71.65 81.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.216 0.532 . . . . 0.0 111.94 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -80.09 138.61 36.99 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.403 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.409 ' HD2' HD21 ' A' 1511 ' ' ASN . 56.1 mttm -93.91 39.2 1.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -110.21 97.43 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.163 0.506 . . . . 0.0 110.767 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1588 ' ' LEU . 53.4 tp -89.66 133.38 34.67 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.052 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' 1589 ' ' GLN . 62.5 mtp180 -120.66 159.31 25.57 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' 1588 ' ' LEU . 11.7 t80 -124.21 107.02 10.77 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' 1587 ' ' VAL . 21.7 m -130.14 116.12 35.5 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 121.347 0.594 . . . . 0.0 112.378 -174.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.7 50.03 15.14 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.425 1.09 . . . . 0.0 110.845 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.427 ' HG3' ' OE1' ' A' 1647 ' ' GLU . 1.8 mp0 66.87 23.16 10.02 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.666 -1.152 . . . . 0.0 113.716 176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' 1584 ' ' VAL . 23.1 m -133.79 150.92 32.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.939 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 77.5 mt -90.6 133.75 34.88 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' 1582 ' ' ARG . 33.3 tt0 -115.97 121.54 42.57 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.056 -175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' 1612 ' ' PHE . 11.7 mt -120.36 109.1 14.95 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.26 170.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.7 p -109.19 124.56 65.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.884 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' 1607 ' ' LYS . 24.5 m-85 -108.13 103.81 13.09 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.42 175.3 5.9 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 50.03 59.54 4.46 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -103.76 -73.32 0.94 Allowed Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 50.2 m -105.76 135.21 19.43 Favored Pre-proline 0 C--N 1.291 -1.97 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 172.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1596 ' ' SER . 1.9 Cg_endo -86.08 47.99 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.103 3.202 . . . . 0.0 112.432 -177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 5.3 p -50.94 135.31 28.28 Favored Pre-proline 0 C--O 1.246 0.887 0 C-N-CA 123.843 0.857 . . . . 0.0 110.752 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.27 89.35 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 121.889 1.726 . . . . 0.0 111.773 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . 0.414 ' OG ' ' HB2' ' A' 1634 ' ' CYS . 4.2 m -85.73 179.08 7.14 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.001 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' 1601 ' ' LYS . 1.1 tmmt? -59.67 -51.35 70.17 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 68.5 m -96.19 3.16 53.37 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.305 0.574 . . . . 0.0 111.882 174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 67.23 49.6 51.37 Favored Glycine 0 CA--C 1.498 -1.022 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.59 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' 1604 ' ' LEU . 1.3 mm? -80.53 -101.57 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.362 -175.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 35.3 p -168.88 167.28 11.01 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.62 48.58 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.911 1.684 . . . . 0.0 110.739 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' 1592 ' ' TYR . 59.7 pttt -69.72 136.51 51.09 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.686 ' HB2' HG12 ' A' 1574 ' ' VAL . 32.0 t -103.7 128.08 51.08 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.239 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.8 t -113.87 107.39 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' 1638 ' ' PHE . 19.6 mt -90.76 114.11 27.68 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 5.8 m -102.22 110.54 22.53 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.939 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 83.4 m-85 -85.85 113.82 22.29 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 44.8 t -104.72 138.04 31.24 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 36.6 t -60.05 123.07 15.99 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.05 0.844 . . . . 0.0 111.164 -178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' 1618 ' ' ALA . 21.0 tpp180 -152.04 104.02 2.81 Favored Pre-proline 0 N--CA 1.427 -1.615 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.593 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.5 -23.87 49.77 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.113 1.876 . . . . 0.0 111.606 175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.79 24.42 3.16 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.042 0.449 . . . . 0.0 110.336 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' 1615 ' ' ARG . . . -88.27 41.04 0.98 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -72.58 -75.87 0.67 Allowed Glycine 0 C--N 1.303 -1.301 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.18 -6.52 13.94 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.243 1.962 . . . . 0.0 112.782 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 6.2 p -110.34 22.72 15.17 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.443 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 1618 ' ' ALA . 9.9 t-20 -78.82 73.99 5.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -157.46 159.57 30.75 Favored Pre-proline 0 C--N 1.292 -1.921 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.597 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 87.4 Cg_endo -85.37 138.76 6.6 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 122.552 2.168 . . . . 0.0 111.448 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 48.4 ttp -125.37 131.29 53.0 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.567 HD21 HD23 ' A' 1629 ' ' LEU . 56.8 tp -78.71 113.43 16.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' 1639 ' ' SER . 49.9 mm -81.52 -56.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.773 -175.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 45.0 m -149.45 149.93 31.58 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.567 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -108.67 125.23 51.66 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 179.124 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.56 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 21.9 t70 -110.59 103.61 12.21 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.126 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.732 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.2 OUTLIER -79.8 -7.65 58.8 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.26 -53.4 9.83 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 110.154 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.554 HG22 ' OD2' ' A' 1630 ' ' ASP . 9.9 t -104.7 4.4 32.47 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.122 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.414 ' HB2' ' OG ' ' A' 1600 ' ' SER . 3.9 t 61.9 55.23 2.64 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 125.352 1.461 . . . . 0.0 110.265 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' 1607 ' ' LYS . 37.8 m -122.27 132.48 54.44 Favored 'General case' 0 N--CA 1.423 -1.808 0 O-C-N 121.75 -0.594 . . . . 0.0 111.229 -177.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 8.1 mp -98.01 119.72 37.14 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.56 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 99.1 m-85 -97.57 116.56 30.03 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.859 ' HZ ' HG21 ' A' 1548 ' ' VAL . 85.8 m-85 -113.58 144.91 42.09 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.652 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.4 ' HB3' HD11 ' A' 1627 ' ' ILE . 48.0 t -116.4 120.67 39.59 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.419 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.3 t-105 -108.92 120.45 42.56 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 21.2 m170 -82.28 108.53 15.8 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 4.4 t -143.06 143.12 23.61 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.447 0.641 . . . . 0.0 111.618 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1642 ' ' THR . 3.6 Cg_exo -76.29 -11.88 19.12 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 123.204 2.602 . . . . 0.0 110.693 174.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.97 -13.44 59.88 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.233 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.62 6.12 49.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.628 0.728 . . . . 0.0 110.295 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.6 m -89.69 121.69 32.1 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.463 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.482 ' HB2' ' ND2' ' A' 1520 ' ' ASN . 8.7 pt-20 -73.37 77.88 1.37 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 122.193 0.997 . . . . 0.0 110.527 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.4 pp -110.73 166.3 11.13 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.49 -1.232 . . . . 0.0 109.751 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.725 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.51 -0.559 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -96.65 105.1 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 11.9 t -128.92 141.64 51.21 Favored 'General case' 0 N--CA 1.425 -1.705 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.03 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -128.35 28.14 5.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -94.92 -16.67 22.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.795 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 51.6 t60 -99.47 2.62 45.16 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' 1579 ' ' LYS . 1.7 m-20 -98.91 43.32 1.06 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.17 -1.377 . . . . 0.0 111.418 -176.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.81 133.22 33.92 Favored 'General case' 0 CA--C 1.493 -1.224 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 97.9 m -85.91 73.31 10.35 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 122.701 1.239 . . . . 0.0 112.542 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' 1526 ' ' LEU . 3.8 pt20 -140.1 135.03 32.14 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-N 113.205 -1.816 . . . . 0.0 106.915 176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 11.8 p -136.72 139.69 44.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 21.6 m -99.82 132.34 45.23 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.018 0.437 . . . . 0.0 111.908 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.687 ' HB2' ' CE2' ' A' 1527 ' ' PHE . 38.8 t30 -85.21 113.44 50.36 Favored Pre-proline 0 C--O 1.215 -0.711 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.72 -10.7 27.59 Favored 'Trans proline' 0 N--CA 1.48 0.718 0 C-N-CA 123.12 2.547 . . . . 0.0 113.249 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 8.1 m -87.66 -50.85 6.23 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.824 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 63.9 p -99.39 -10.72 21.91 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.992 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.92 18.17 78.87 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.52 142.19 28.17 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1517 ' ' GLN . 3.3 tm? -93.45 122.7 36.14 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' A' 1520 ' ' ASN . 54.1 m-85 -95.12 109.86 21.88 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -108.32 121.14 44.29 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.7 mt -103.73 15.76 28.02 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 11.2 m -62.42 -22.28 66.05 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 123.96 0.904 . . . . 0.0 112.988 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 16.3 m -76.83 -16.48 59.42 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.58 -0.7 . . . . 0.0 110.539 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' A' 1552 ' ' ILE . 91.8 mt -92.9 11.96 25.43 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 121.286 0.565 . . . . 0.0 110.18 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' 1552 ' ' ILE . 72.5 m -78.29 33.69 0.2 Allowed 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -68.27 98.09 0.49 Allowed Glycine 0 C--O 1.249 1.037 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -76.25 -8.39 56.97 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 123.282 0.633 . . . . 0.0 112.385 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -74.46 -10.82 59.93 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.047 0.451 . . . . 0.0 111.291 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 96.96 100.74 2.0 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 120.236 -0.983 . . . . 0.0 115.365 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.7 127.8 33.91 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' 1548 ' ' VAL . 21.1 m -101.85 107.91 19.24 Favored 'General case' 0 C--N 1.277 -2.559 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.698 -172.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.819 ' HB2' ' HG2' ' A' 1624 ' ' PRO . . . -99.3 96.3 7.64 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.366 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -98.02 104.58 16.62 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.439 ' CG ' HD23 ' A' 1626 ' ' LEU . 5.7 p90 -86.24 -16.95 36.06 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -137.64 136.84 37.85 Favored 'General case' 0 N--CA 1.414 -2.225 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -79.81 128.95 34.06 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.992 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 116.8 -29.15 7.01 Favored Glycine 0 N--CA 1.431 -1.637 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -149.68 107.41 3.68 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.97 0.89 . . . . 0.0 110.188 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -123.74 178.36 16.44 Favored Glycine 0 N--CA 1.419 -2.462 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.904 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.771 HG21 ' HZ ' ' A' 1638 ' ' PHE . 54.1 t -95.8 127.66 47.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 123.128 0.571 . . . . 0.0 110.409 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' 1566 ' ' CYS . 39.8 m-85 -105.28 91.81 3.94 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.473 ' HA ' ' HA ' ' A' 1565 ' ' ALA . 10.7 ptp -109.71 148.68 30.96 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.301 0.572 . . . . 0.0 112.492 -175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 49.1 m -123.38 124.01 41.97 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.597 HD12 ' HZ ' ' A' 1612 ' ' PHE . 50.4 mm -79.06 100.66 3.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 84.7 m 62.31 89.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.821 0.848 . . . . 0.0 111.553 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 144.46 116.78 1.11 Allowed Glycine 0 N--CA 1.43 -1.746 0 C-N-CA 119.586 -1.292 . . . . 0.0 111.9 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.561 ' HB2' ' H ' ' A' 1562 ' ' GLY . 10.3 pt-20 -42.57 111.03 0.21 Allowed 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.977 1.311 . . . . 0.0 113.437 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.71 ' HB3' HG13 ' A' 1563 ' ' VAL . 27.8 t-20 -63.06 130.87 46.54 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.769 -1.56 . . . . 0.0 110.169 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.39 -13.42 54.94 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.66 -46.86 68.01 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.248 0.547 . . . . 0.0 110.22 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.993 ' HB2' HG11 ' A' 1563 ' ' VAL . 71.8 m -102.08 175.87 2.11 Favored Pre-proline 0 C--N 1.297 -1.676 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.066 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 65.6 Cg_exo -46.34 128.8 12.67 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.566 2.177 . . . . 0.0 111.818 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 1560 ' ' PRO . 6.7 Cg_endo -48.81 130.18 22.38 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.962 3.108 . . . . 0.0 112.545 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.561 ' H ' ' HB2' ' A' 1555 ' ' GLU . . . 121.94 -24.94 6.93 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.993 HG11 ' HB2' ' A' 1559 ' ' CYS . 9.8 p -73.35 150.28 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -113.21 -18.64 7.11 Favored Glycine 0 C--N 1.308 -0.984 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' 1574 ' ' VAL . . . -152.98 135.57 15.21 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.648 ' HB2' ' HB2' ' A' 1549 ' ' TYR . 81.7 m -115.51 161.1 19.07 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . 0.495 ' O ' ' HB ' ' A' 1572 ' ' ILE . 8.6 t80 -154.78 167.45 30.2 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.78 178.3 50.27 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-O 121.52 0.511 . . . . 0.0 112.979 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -89.74 -26.99 20.35 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.637 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 34.9 p -90.24 -84.08 0.24 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -156.42 32.62 0.32 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.072 0.549 . . . . 0.0 111.019 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' 1567 ' ' PHE . 56.7 mt -68.08 125.08 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.73 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.4 m -100.39 129.48 46.36 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 175.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' 1608 ' ' SER . 20.7 t -90.53 -28.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-O 121.648 0.737 . . . . 0.0 109.215 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 175.04 164.55 29.93 Favored Glycine 0 N--CA 1.424 -2.153 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.029 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' 1563 ' ' VAL . 75.5 mmtt -81.05 154.47 26.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -72.53 95.11 1.76 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.411 0.624 . . . . 0.0 111.274 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.93 114.23 25.32 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.733 177.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1514 ' ' ASP . 97.2 mttt -92.39 45.77 1.22 Allowed 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.346 0.593 . . . . 0.0 112.045 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -115.96 90.96 3.45 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' 1588 ' ' LEU . 50.9 tp -73.78 135.32 43.53 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -124.0 154.37 39.93 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.576 ' HD1' HD23 ' A' 1588 ' ' LEU . 68.6 t80 -123.68 106.77 10.81 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 22.0 m -143.37 136.95 25.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.048 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.09 36.94 18.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.175 0.988 . . . . 0.0 109.793 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 60.61 29.45 19.02 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.25 -1.341 . . . . 0.0 113.062 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 27.5 m -142.32 161.77 19.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.836 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 73.8 mt -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' 1610 ' ' ILE . 34.2 tt0 -130.6 135.05 47.5 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.439 -176.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 16.6 mt -128.05 122.16 31.47 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 124.379 1.072 . . . . 0.0 108.935 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 8.4 p -114.76 117.47 55.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-O 121.915 0.864 . . . . 0.0 111.335 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -102.5 107.11 17.96 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.638 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 -178.7 3.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 31.4 m-20 68.09 26.88 7.1 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.617 1.167 . . . . 0.0 113.095 175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.45 -72.39 1.29 Allowed Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 119.318 -1.42 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 23.4 t -113.69 132.17 22.7 Favored Pre-proline 0 C--N 1.292 -1.922 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.82 47.97 2.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.031 3.154 . . . . 0.0 112.039 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 16.5 p -38.81 141.17 0.61 Allowed Pre-proline 0 C--O 1.252 1.213 0 C-N-CA 125.614 1.565 . . . . 0.0 114.459 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.9 Cg_endo -80.08 95.37 1.01 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.441 2.761 . . . . 0.0 110.672 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 12.8 m -124.45 -172.71 2.61 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.962 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.33 -48.0 83.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 21.7 t -105.2 -32.41 8.67 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.49 0.662 . . . . 0.0 109.954 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 80.03 49.12 6.14 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 115.529 -0.76 . . . . 0.0 114.028 172.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.438 ' H ' HD22 ' A' 1604 ' ' LEU . 2.2 mm? -72.07 -87.96 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.126 0.489 . . . . 0.0 111.402 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 87.5 p -166.09 151.98 8.94 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.998 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 8.5 t80 -74.86 47.6 0.34 Allowed 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.675 1.19 . . . . 0.0 110.799 -176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1635 ' ' THR . 61.2 pttt -61.72 148.35 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' 1574 ' ' VAL . 41.4 t -114.35 134.64 54.82 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.655 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 89.9 t -115.03 107.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' 1589 ' ' GLN . 18.1 mt -93.33 120.94 43.55 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1639 ' ' SER . 5.3 m -111.18 114.63 28.0 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.836 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 82.2 m-85 -90.91 118.26 30.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.523 -178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -109.72 129.63 64.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.184 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' 1642 ' ' THR . 4.5 t -60.84 130.93 48.95 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.113 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -159.23 114.99 1.58 Allowed Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 172.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.2 -25.47 57.66 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 122.809 2.339 . . . . 0.0 112.054 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.83 22.17 2.78 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.216 0.532 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' 1621 ' ' THR . . . -90.69 42.16 1.09 Allowed 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -73.55 -71.94 1.05 Allowed Glycine 0 C--N 1.305 -1.188 0 C-N-CA 120.308 -0.949 . . . . 0.0 110.947 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -77.95 -15.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 122.049 1.832 . . . . 0.0 112.545 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' 1618 ' ' ALA . 8.8 t -99.98 21.68 12.34 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.479 0.656 . . . . 0.0 110.236 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' 1618 ' ' ALA . 7.9 t-20 -83.03 63.18 6.97 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -143.32 153.26 59.14 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.819 ' HG2' ' HB2' ' A' 1540 ' ' ALA . 57.5 Cg_endo -79.33 137.32 13.23 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 122.184 1.922 . . . . 0.0 111.319 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 54.2 ttp -125.72 126.83 45.26 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.657 HD21 HD23 ' A' 1629 ' ' LEU . 53.3 tp -78.01 122.05 25.03 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 45.7 mm -90.67 -47.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.631 -176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -155.58 155.76 33.9 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.657 HD23 HD21 ' A' 1626 ' ' LEU . 0.2 OUTLIER -117.17 111.81 19.98 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . 0.553 ' HB2' ' HE2' ' A' 1637 ' ' PHE . 20.3 t70 -83.7 111.43 19.15 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.604 ' HD3' ' H ' ' A' 1631 ' ' LYS . 0.4 OUTLIER -79.82 -9.4 59.66 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.336 179.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.34 -56.96 3.58 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.603 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 6.0 t -115.56 9.11 15.29 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 120.978 0.418 . . . . 0.0 110.212 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.998 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 93.3 m 65.91 84.21 0.16 Allowed 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.856 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' 1607 ' ' LYS . 22.1 m -138.55 118.46 13.31 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.662 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' 1629 ' ' LEU . 7.2 mp -90.96 107.65 19.34 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.553 ' HE2' ' HB2' ' A' 1630 ' ' ASP . 96.7 m-85 -86.17 112.31 21.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.33 -177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.771 ' HZ ' HG21 ' A' 1548 ' ' VAL . 54.7 m-85 -112.29 145.85 39.27 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 120.85 0.357 . . . . 0.0 111.666 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1611 ' ' SER . 20.3 t -124.75 128.18 48.37 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -120.76 116.56 25.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -85.86 116.12 23.92 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.502 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 2.7 t -142.41 140.07 18.47 Favored Pre-proline 0 N--CA 1.426 -1.671 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.0 Cg_exo -74.46 -12.45 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.622 2.881 . . . . 0.0 111.364 175.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.7 -19.43 59.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.932 0.396 . . . . 0.0 110.268 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -88.94 -3.8 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.593 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 93.7 m -67.35 125.98 27.82 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.833 0.825 . . . . 0.0 113.197 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' 1647 ' ' GLU . 0.1 OUTLIER -85.88 76.46 9.87 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.622 -177.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.88 166.8 11.56 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.184 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.747 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.354 . . . . . . . . 0 0 . 1 stop_ save_